Monika Gamza - Academia.edu (original) (raw)
Papers by Monika Gamza
Data underlying the figures shown in the publication 'Composition dependence of bulk supercon... more Data underlying the figures shown in the publication 'Composition dependence of bulk superconductivity in YFe2Ge2', including resistivity and heat capacity versus temperature for different sample qualities, in zero and 2.5 T applied field, resistive transition temperature vs. residual resistivity for a large number of samples, transition temperature and residual resistance ratio vs. nominal composition, lattice parameters vs. nominal composition, and EDS-derived phase content of polycrystalline ingots from with varying nominal composition.
Bulletin of the American Physical Society, Mar 4, 2014
While many systems exhibit both local and itinerant magnetism, only two are known to display magn... more While many systems exhibit both local and itinerant magnetism, only two are known to display magnetism while being composed of non-magnetic elements-Sc 3 In and ZrZn 2. Drastic differences in dimensionality, critical scaling and susceptibility to perturbations suggest that more systems like this would be useful in identifying the origin of their magnetic properties. In this talk, the properties of a new itinerant antiferromagent with no magnetic constituents, are presented. Specific heat, resistivity and magnetization data indicate magnetic ordering below T N ≈ 36 K. Above this temperature, the susceptibility displays Curie-Weiss-like behavior, with an unexpectedly large paramagnetic moment µ P M ≈ 0.8 µ B F.U. −1. The magnetism is confirmed by band structure calculations, which suggest a spin-density wave ground state with a modulation wavevector Q = (0, 2π/3b, 0).
Physical Review B, Aug 18, 2005
Measurements by atomic force microscopy reported for a polycrystalline CeRhSn sample show nanomet... more Measurements by atomic force microscopy reported for a polycrystalline CeRhSn sample show nanometersized grains consisting of crystalline components. The grains are separated by a grain boundary. The highresolution electron microscopy and secondary-ion mass spectrometry were used to determine homogeneity of the grains and the grain boundary. The grains are homogeneous up to about 60% of the major phase, with slightly off-stoichiometric phases constituting the balance, whereas the volume fractions of intercrystalline components are strongly inhomogeneous and off stoichiometric. We argue that there is possibly a ballistic transport of electrons through an interface between the grains, which strongly modifies the resistivity of the CeRhSn stoichiometric grains, which is non-Fermi-liquid in character.
Journal of Solid State Chemistry, Oct 1, 2007
ABSTRACT We report on the magnetic and electronic transport properties and as well band electroni... more ABSTRACT We report on the magnetic and electronic transport properties and as well band electronic structure of the Ce{sub 5}CuPb{sub 3} intermetallic compound, crystallizing in the hexagonal Hf{sub 5}CuSn{sub 3}-type structure. The magnetic and XPS data indicate localized character of the 4f-electrons. Ce{sub 5}CuPb{sub 3} is shown to be a magnet with double transitions below T{sub C1}=46K and T{sub C2}=5K. Despite being magnetic the compound is found to have a strongly enhanced electronic specific heat (about 50mJ/molCeK{sup 2}). The electronic band structure calculations based on TB-LMTO and FP-LAPW confirm the magnetic ground state. From the theoretical data we would expect that the Ce1 and Ce2 atoms located at the 4d and 6g, respectively, give distinct contributions to the density of states at the Fermi level. -- Comparison of the experimental valence band corrected by the background (thin line with crosses) with the theoretical spectra. These latter were convoluated by Lorentzians with a full-width-half-maximum (FWHM) of 0.4 eV (dashed line) or by the pseudoVoigt profile function with a FWHM of 0.8 eV and 0.5 eV for the Lorentzian and Gaussian components, respectively (solid line)
Physical Review Letters, Nov 30, 2020
Using a new horizontal flux growth technique to produce high quality crystals of the unconvention... more Using a new horizontal flux growth technique to produce high quality crystals of the unconventional superconductor YFe2Ge2 has led to a seven-fold reduction in disorder scattering, resulting in mm-sized crystals with residual resistivities 0.45 µΩ cm, resistivity ratios 430 and sharp superconducting heat capacity anomalies. This enables searching multi-probe experiments investigating the normal and superconducting states of YFe2Ge2. Low temperature heat capacity measurements suggest a significant residual Sommerfeld coefficient, consistent with in-gap states induced by residual disorder as predicted for a sign-changing order parameter.
Physical review, Apr 27, 2017
We report on the electronic band structure, structural, magnetic and thermal properties of Ce2Rh3... more We report on the electronic band structure, structural, magnetic and thermal properties of Ce2Rh3Sn5. Ce LIII-edge XAS spectra give direct evidence for an intermediate valence behaviour. Thermodynamic measurements reveal magnetic transitions at TN1 ≈ 2.9 K and TN2 ≈ 2.4 K. Electrical resistivity shows behaviour typical for Kondo lattices. The coexistence of magnetic order and valence fluctuations in a Kondo lattice system we attribute to a peculiar crystal structure in which Ce ions occupy two distinct lattice sites. Analysis of the structural features of Ce2Rh3Sn5, together with results of electronic band structure calculations, thermodynamic and spectroscopic data indicate that at low temperatures only Ce ions from the Ce1 sublattice adopt a stable trivalent electronic configuration and show local magnetic moments that give rise to the magnetic ordering. By contrast, our study suggests that Ce2 ions exhibit a nonmagnetic Kondo-singlet ground state. Furthermore, the valence of Ce2 ions estimated from the Ce LIII-edge XAS spectra varies between +3.18 at 6 K and +3.08 at room temperature. Thus, our joined experimental and theoretical investigations classify Ce2Rh3Sn5 as a multivalent charge-ordered system.
Bulletin of the American Physical Society, Mar 2, 2012
Submitted for the MAR12 Meeting of The American Physical Society FeGa3-a strongly correlated insu... more Submitted for the MAR12 Meeting of The American Physical Society FeGa3-a strongly correlated insulator? MONIKA GAMZA, Brookhaven National Laboratory, MEIGAN ARONSON, Stony Brook University and Brookhaven National Laboratory-FeGa3 is one of few Fe-based nonmagnetic semiconductors, in which a small gap is produced by the hybridization of Fe 3d states with p states of a group 13 or 14 element. The role of strong electron-electron correlation effects in formation of the gap is unclear. In case of FeSi and FeSb2, a metal-insulator transition was observed at temperatures low relative to the gap energy, which is a hallmark of a Kondo nature of the gap. For FeGa3, a combination of photoemission data and DFT-based electronic structure calculations indicated a rather strong on-site effective Coulomb repulsion within the Fe 3d shell Ueff∼3 eV and a sizable Ueff/W ∼ 0.6 (W-band width) [1]. Interestingly, recent ARPES measurements revealed a Fe 3d derived state located around 0.4 eV away from the top of the valence band [1]. Thermodynamic and transport measurements do not give any sign of a metal-insulation transition up to 1000 K [2]. To get insight into the importance of e-e correlation effects in formation of the gap in FeGa3, we drive the system towards a metallic state by doping. The results of resistivity, specific heat and magnetization measurements on doped single crystals of FeGa3 grow by Ga-flux technique will be discussed.
Physical Review B, May 22, 2006
We examine the electronic properties of the CeRhSb 1−x Sn x metallic series with 0.78ഛ x ഛ 1 by t... more We examine the electronic properties of the CeRhSb 1−x Sn x metallic series with 0.78ഛ x ഛ 1 by treating the non-Fermi liquid ͑NFL͒ state of CeRhSn as a reference state. A nonuniversal behavior of the NFL phase is observed as a function of x, which is attributed to enhanced magnetic disorder effects introduced by alloying, from one side and to the role of spin fluctuations due to Rh 4d electrons from the other. The NFL behavior at the lowest temperatures is attributed to quantum critical fluctuations among 4f electrons due to Ce, whereas the spin fluctuations become pronounced at higher temperatures T Ͼ 6 K. Thus, in Sn-rich samples those two types of fluctuations coexist. An itinerant-electron type of spin-glass-like state with a small magnetic moment appears at temperatures T ഛ 5 K. These studies complement our previous work on the same system in the Sb-rich region, i.e., with 0 ഛ x Ͻ 0.2, where the Kondo semiconducting state evolves into NFL state via a quantum critical point located at x Х 0.12.
Physical Review B, Sep 30, 2005
Physical Review Materials, Feb 26, 2021
Cadmium arsenide Cd3As2 hosts massless Dirac electrons in its ambient-conditions tetragonal phase... more Cadmium arsenide Cd3As2 hosts massless Dirac electrons in its ambient-conditions tetragonal phase. We report X-ray diffraction and electrical resistivity measurements of Cd3As2 upon cycling pressure beyond the critical pressure of the tetragonal phase and back to ambient conditions. We find that at room temperature the transition between the low-and high-pressure phases results in large microstrain and reduced crystallite size both on rising and falling pressure. This leads to non-reversible electronic properties including self-doping associated with defects and a reduction of the electron mobility by an order of magnitude due to increased scattering. Our study indicates that the structural transformation is sluggish and shows a sizable hysteresis of over 1 GPa. Therefore, we conclude that the transition is first-order reconstructive, with chemical bonds being broken and rearranged in the high-pressure phase. Using the diffraction measurements we demonstrate that annealing at ∼200°C greatly improves the crystallinity of the high-pressure phase. We show that its Bragg peaks can be indexed as a primitive orthorhombic lattice with aHP ≈ 8.68 Å, bHP ≈ 17.15 Å and cHP ≈ 18.58 Å. The diffraction study indicates that during the structural transformation a new phase with another primitive orthorhombic structure may be also stabilized by deviatoric stress, providing an additional venue for tuning the unconventional electronic states in Cd3As2.
Physical review, Jan 2, 2019
Journal of Physics: Condensed Matter, Dec 6, 2007
We report on the electronic structure and magnetic properties of the Kondo lattice system CeRhSn ... more We report on the electronic structure and magnetic properties of the Kondo lattice system CeRhSn 2 and of the reference compound LaRhSn 2. The Ce 3d and 4d x-ray photoemission spectroscopy (XPS) data point to a stable configuration of the Ce 4f shell in CeRhSn 2. The ac magnetic susceptibility measurements reveal two magnetic transitions for CeRhSn 2 at temperatures T C1 ≈ 4 K and T C2 ≈ 3 K. The temperature dependences of the ac susceptibility show also broad maxima at about 17 and 15 K for CeRhSn 2 and LaRhSn 2 , respectively. Such features hint at spin fluctuations on Rh atoms. To get detailed insight into the electronic structure of both CeRhSn 2 and LaRhSn 2 we perform ab initio band structure calculations within the local (spin) density approximation (L(S)DA) and using the LSDA + U approach to account for the strong Coulomb interactions within the Ce 4f shell. The LSDA + U approximation gives qualitatively the correct physical picture of Ce 3+ in CeRhSn 2. The reliability of the theoretical results is confirmed by the comparison of the calculated XPS valence band spectra with experimental data. A Fermi surface analysis shows that there are some parallel sections of the sheets, which could generate 'nesting' instabilities. These nesting features might be responsible for the spin fluctuations suggested by the ac susceptibility measurements.
Physical Review B, May 6, 2014
We investigate signatures of electronic correlations in the narrow-gap semiconductor FeGa3 by mea... more We investigate signatures of electronic correlations in the narrow-gap semiconductor FeGa3 by means of electrical resistivity and thermodynamic measurements performed on single crystals of FeGa3, Fe1−xMnxGa3 and FeGa3−yZny, complemented by a study of the 4d analog material RuGa3. We find that the inclusion of sizable amounts of Mn and Zn dopants into FeGa3 does not induce an insulator-to-metal transition. Our study indicates that both substitution of Zn onto the Ga site and replacement of Fe by Mn introduces states into the semiconducting gap that remain localized even at highest doping levels. Most importantly, using neutron powder diffraction measurements, we establish that FeGa3 orders magnetically above room temperature in a complex structure, which is almost unaffected by the doping with Mn and Zn. Using realistic many-body calculations within the framework of dynamical mean field theory (DMFT), we argue that while the iron atoms in FeGa3 are dominantly in an S = 1 state, there are strong charge and spin fluctuations on short time scales, which are independent of temperature. Further, the low magnitude of local contributions to the spin susceptibility advocates an itinerant mechanism for the spin response in FeGa3. Our joint experimental and theoretical investigations classify FeGa3 as a correlated band insulator with only small dynamical correlation effects, in which non-local exchange interactions are responsible for the spin gap of 0.4 eV and the antiferromagnetic order. We show that hole doping of FeGa3 leads, within DMFT, to a notable strengthening of many-body renormalizations.
arXiv (Cornell University), Sep 1, 2015
One of the early triumphs of quantum physics is the explanation why some materials are metallic w... more One of the early triumphs of quantum physics is the explanation why some materials are metallic whereas others are insulating. While a treatment based on single electron states correctly predicts the character of most materials this approach can fail spectacularly, when the electrostatic repulsion between electrons causes strong correlations. Not only can these favor new and subtle forms of order in metals, such as magnetism or superconductivity, they can even cause the electrons in a half-filled energy band to lock into position altogether, producing a correlated, or Mott insulator (1, 2). Arguably the most extreme manifestation of electronic correlations in dense electronic matter, the transition into the Mott insulating state raises a number of fundamental questions. Foremost among these is the fate of the electronic Fermi surface and the associated charge carrier mass, as the Mott transition is approached at low temperature, which have been particularly controversial in the high temperature superconducting cuprates. We report the first direct observation of the Fermi surface on the metallic side of a Mott insulating transition by high pressure quantum oscillatory measurements in NiS2. Our results point at a large Fermi surface consistent with Luttinger's theorem and a strongly enhanced carrier effective mass, suggesting that electron localization occurs via a diverging effective mass and concomitant slowing down of charge carriers as predicted theoretically (3).
Bulletin of the American Physical Society, Mar 20, 2013
The new spin-1/2 compound AgVOAsO4 shows one-dimensional magnetic behavior and a spin gap of abou... more The new spin-1/2 compound AgVOAsO4 shows one-dimensional magnetic behavior and a spin gap of about 14 K. The crystal structure of AgVOAsO4 is rather complex with alternating spin chains aligned along the [110] and [110] direction. The experimental magnetic susceptibility yields values of 40 K and 26 K for J1 and J1 ′ , respectively. The magnetization curve taken at 1.5 K cannot be fully described by only two coupling constants, which points to sizable inter chain coupling. Furthermore, the magnetization shows the closing of the spin gap at Hc1 =10.5 T and a saturation at Hc2=48.5 T. In the talk, we report the magnetic field-temperature (H-T) phase diagram of AgVOAsO4 measured by specific heat and magnetization experiments. The specific heat taken in high DC fields up to 28 T reveals a distinct double anomaly around 4 K and 2 K. Magnetization experiments follow this double structure down to mk temperatures and reveal a variety of anomalies close to the critical field Hc1 in AgVOAsO4.
Materials Science-poland, 2007
We performed a study of the compound CeRh 2 Sn 4 , not investigated so far. Our samples were care... more We performed a study of the compound CeRh 2 Sn 4 , not investigated so far. Our samples were carefully characterized by X-ray powder diffraction analysis and by locally resolved, energy dispersive X-ray spectroscopy (EDXS). We present a combined experimental and theoretical study based on X-ray photoelectron spectroscopy (XPS) data together with ab initio band structure calculations. The Ce 3d XPS spectrum indicates a small mixed valence of Ce. Analysis of the 3d 9 4f 2 weight using the Gunnarsson-Schönhammer theory suggests a hybridization between Ce 4f states and the conduction band of about 85 meV. The valence band spectrum, dominated by Rh 4d states, is in a very good agreement with the calculated one.
Materials Science-poland, 2006
Journal of Physics: Condensed Matter, Sep 1, 2008
We report on the electronic structure and basic thermodynamic properties of Ce 3 Rh 4 Sn 13 and o... more We report on the electronic structure and basic thermodynamic properties of Ce 3 Rh 4 Sn 13 and of the reference compound La 3 Rh 4 Sn 13. XPS core-level spectra revealed a stable trivalent configuration of the Ce atoms in Ce 3 Rh 4 Sn 13 , consistent with magnetic susceptibility data. Band structure calculations within the LSDA + U approximation yield the qualitatively correct description of Ce in a trivalent state. The reliability of the theoretical results has been confirmed by a comparison of the calculated XPS valence band spectra with experimental data. The calculated densities of states as well as the rare-earth (RE) 3d XPS spectra point to a weak hybridization between the RE 4f shell and the conduction band states. The band structure calculations result in a magnetic ground state for Ce 3 Rh 4 Sn 13. Previous analysis pointed to the partial occupancy of the 2a site by Sn atoms. The charge density analysis reveals the dominant metallic character of the chemical bonding at the 2a atomic position. Simulation of vacancies at the 2a site using the virtual crystal approximation (VCA) indicate that the magnetic properties of Ce 3 Rh 4 Sn 13 strongly depend on the Sn content, which could explain the discrepancy in magnetic properties between different Ce 3 Rh 4 Sn 13 samples.
Materials Science and Engineering A-structural Materials Properties Microstructure and Processing, May 1, 2021
Abstract The mechanical characteristics and the operative deformation mechanisms of a metallic al... more Abstract The mechanical characteristics and the operative deformation mechanisms of a metallic alloy can be optimised by explicitly controlling phase stability. Here an integrated thermoelastic and pseudoelastic model is presented to evaluate the β stability in Ti alloys. The energy landscape of β → α ′ / α ″ martensitic transformation was expressed in terms of the dilatational and transformational strain energy, the Gibbs free energy change, the external mechanical work as well as the internal frictional resistance. To test the model, new alloys were developed by tailoring two base alloys, Ti-6Al-4V and Ti-6Al-7Nb, with the addition of β-stabilising element Mo. The alloys exhibited versatile mechanical behaviours with enhanced plasticity. Martensitic nucleation and growth was fundamentally dominated by the competition between elastic strain energy and chemical driving force, where the latter term tends to lower the transformational energy barrier. The model incorporates thermodynamics and micromechanics to quantitatively investigate the threshold energy for operating transformation-induced plasticity and further guides alloy design.
European Physical Journal B, Feb 1, 2009
Electronic structure of the compounds CeRhIn and CeRhSn have been studied by the X-ray photoemiss... more Electronic structure of the compounds CeRhIn and CeRhSn have been studied by the X-ray photoemission spectroscopy (XPS) and ab initio band structure calculations. CeRhSn shows the non-Fermi liquid characteristics at low temperatures, while CeRhIn exhibits a Fermi-liquid ground state. At ambient temperature the XPS data reveal an intermediate valence state of Ce ions in both systems. The Ce corelevel XPS spectra are very similar and indicate the strong coupling of the Ce 4f and the conduction band states (Δ ≈ 100 meV). The valence band spectra we interpret with the help of ab initio calculations as well as using the results for the reference compounds LaRhIn and LaRhSn. The comparative analysis of the theoretical band structures and charge density plots reveal the changes in chemical bonding and the hybridization between the Ce 4f and the other valence states introduced by the replacement of In by Sn atoms. The more covalent character of the chemical bonding in the stannides is in line with the smaller thermal expansion. Finally, for CeRhIn we found a typical temperature dependence of the crystal lattice, while CeRhSn shows distinct anomaly at about 120 K, presumably related to the change in planar Ce-Rh bonds.
Data underlying the figures shown in the publication 'Composition dependence of bulk supercon... more Data underlying the figures shown in the publication 'Composition dependence of bulk superconductivity in YFe2Ge2', including resistivity and heat capacity versus temperature for different sample qualities, in zero and 2.5 T applied field, resistive transition temperature vs. residual resistivity for a large number of samples, transition temperature and residual resistance ratio vs. nominal composition, lattice parameters vs. nominal composition, and EDS-derived phase content of polycrystalline ingots from with varying nominal composition.
Bulletin of the American Physical Society, Mar 4, 2014
While many systems exhibit both local and itinerant magnetism, only two are known to display magn... more While many systems exhibit both local and itinerant magnetism, only two are known to display magnetism while being composed of non-magnetic elements-Sc 3 In and ZrZn 2. Drastic differences in dimensionality, critical scaling and susceptibility to perturbations suggest that more systems like this would be useful in identifying the origin of their magnetic properties. In this talk, the properties of a new itinerant antiferromagent with no magnetic constituents, are presented. Specific heat, resistivity and magnetization data indicate magnetic ordering below T N ≈ 36 K. Above this temperature, the susceptibility displays Curie-Weiss-like behavior, with an unexpectedly large paramagnetic moment µ P M ≈ 0.8 µ B F.U. −1. The magnetism is confirmed by band structure calculations, which suggest a spin-density wave ground state with a modulation wavevector Q = (0, 2π/3b, 0).
Physical Review B, Aug 18, 2005
Measurements by atomic force microscopy reported for a polycrystalline CeRhSn sample show nanomet... more Measurements by atomic force microscopy reported for a polycrystalline CeRhSn sample show nanometersized grains consisting of crystalline components. The grains are separated by a grain boundary. The highresolution electron microscopy and secondary-ion mass spectrometry were used to determine homogeneity of the grains and the grain boundary. The grains are homogeneous up to about 60% of the major phase, with slightly off-stoichiometric phases constituting the balance, whereas the volume fractions of intercrystalline components are strongly inhomogeneous and off stoichiometric. We argue that there is possibly a ballistic transport of electrons through an interface between the grains, which strongly modifies the resistivity of the CeRhSn stoichiometric grains, which is non-Fermi-liquid in character.
Journal of Solid State Chemistry, Oct 1, 2007
ABSTRACT We report on the magnetic and electronic transport properties and as well band electroni... more ABSTRACT We report on the magnetic and electronic transport properties and as well band electronic structure of the Ce{sub 5}CuPb{sub 3} intermetallic compound, crystallizing in the hexagonal Hf{sub 5}CuSn{sub 3}-type structure. The magnetic and XPS data indicate localized character of the 4f-electrons. Ce{sub 5}CuPb{sub 3} is shown to be a magnet with double transitions below T{sub C1}=46K and T{sub C2}=5K. Despite being magnetic the compound is found to have a strongly enhanced electronic specific heat (about 50mJ/molCeK{sup 2}). The electronic band structure calculations based on TB-LMTO and FP-LAPW confirm the magnetic ground state. From the theoretical data we would expect that the Ce1 and Ce2 atoms located at the 4d and 6g, respectively, give distinct contributions to the density of states at the Fermi level. -- Comparison of the experimental valence band corrected by the background (thin line with crosses) with the theoretical spectra. These latter were convoluated by Lorentzians with a full-width-half-maximum (FWHM) of 0.4 eV (dashed line) or by the pseudoVoigt profile function with a FWHM of 0.8 eV and 0.5 eV for the Lorentzian and Gaussian components, respectively (solid line)
Physical Review Letters, Nov 30, 2020
Using a new horizontal flux growth technique to produce high quality crystals of the unconvention... more Using a new horizontal flux growth technique to produce high quality crystals of the unconventional superconductor YFe2Ge2 has led to a seven-fold reduction in disorder scattering, resulting in mm-sized crystals with residual resistivities 0.45 µΩ cm, resistivity ratios 430 and sharp superconducting heat capacity anomalies. This enables searching multi-probe experiments investigating the normal and superconducting states of YFe2Ge2. Low temperature heat capacity measurements suggest a significant residual Sommerfeld coefficient, consistent with in-gap states induced by residual disorder as predicted for a sign-changing order parameter.
Physical review, Apr 27, 2017
We report on the electronic band structure, structural, magnetic and thermal properties of Ce2Rh3... more We report on the electronic band structure, structural, magnetic and thermal properties of Ce2Rh3Sn5. Ce LIII-edge XAS spectra give direct evidence for an intermediate valence behaviour. Thermodynamic measurements reveal magnetic transitions at TN1 ≈ 2.9 K and TN2 ≈ 2.4 K. Electrical resistivity shows behaviour typical for Kondo lattices. The coexistence of magnetic order and valence fluctuations in a Kondo lattice system we attribute to a peculiar crystal structure in which Ce ions occupy two distinct lattice sites. Analysis of the structural features of Ce2Rh3Sn5, together with results of electronic band structure calculations, thermodynamic and spectroscopic data indicate that at low temperatures only Ce ions from the Ce1 sublattice adopt a stable trivalent electronic configuration and show local magnetic moments that give rise to the magnetic ordering. By contrast, our study suggests that Ce2 ions exhibit a nonmagnetic Kondo-singlet ground state. Furthermore, the valence of Ce2 ions estimated from the Ce LIII-edge XAS spectra varies between +3.18 at 6 K and +3.08 at room temperature. Thus, our joined experimental and theoretical investigations classify Ce2Rh3Sn5 as a multivalent charge-ordered system.
Bulletin of the American Physical Society, Mar 2, 2012
Submitted for the MAR12 Meeting of The American Physical Society FeGa3-a strongly correlated insu... more Submitted for the MAR12 Meeting of The American Physical Society FeGa3-a strongly correlated insulator? MONIKA GAMZA, Brookhaven National Laboratory, MEIGAN ARONSON, Stony Brook University and Brookhaven National Laboratory-FeGa3 is one of few Fe-based nonmagnetic semiconductors, in which a small gap is produced by the hybridization of Fe 3d states with p states of a group 13 or 14 element. The role of strong electron-electron correlation effects in formation of the gap is unclear. In case of FeSi and FeSb2, a metal-insulator transition was observed at temperatures low relative to the gap energy, which is a hallmark of a Kondo nature of the gap. For FeGa3, a combination of photoemission data and DFT-based electronic structure calculations indicated a rather strong on-site effective Coulomb repulsion within the Fe 3d shell Ueff∼3 eV and a sizable Ueff/W ∼ 0.6 (W-band width) [1]. Interestingly, recent ARPES measurements revealed a Fe 3d derived state located around 0.4 eV away from the top of the valence band [1]. Thermodynamic and transport measurements do not give any sign of a metal-insulation transition up to 1000 K [2]. To get insight into the importance of e-e correlation effects in formation of the gap in FeGa3, we drive the system towards a metallic state by doping. The results of resistivity, specific heat and magnetization measurements on doped single crystals of FeGa3 grow by Ga-flux technique will be discussed.
Physical Review B, May 22, 2006
We examine the electronic properties of the CeRhSb 1−x Sn x metallic series with 0.78ഛ x ഛ 1 by t... more We examine the electronic properties of the CeRhSb 1−x Sn x metallic series with 0.78ഛ x ഛ 1 by treating the non-Fermi liquid ͑NFL͒ state of CeRhSn as a reference state. A nonuniversal behavior of the NFL phase is observed as a function of x, which is attributed to enhanced magnetic disorder effects introduced by alloying, from one side and to the role of spin fluctuations due to Rh 4d electrons from the other. The NFL behavior at the lowest temperatures is attributed to quantum critical fluctuations among 4f electrons due to Ce, whereas the spin fluctuations become pronounced at higher temperatures T Ͼ 6 K. Thus, in Sn-rich samples those two types of fluctuations coexist. An itinerant-electron type of spin-glass-like state with a small magnetic moment appears at temperatures T ഛ 5 K. These studies complement our previous work on the same system in the Sb-rich region, i.e., with 0 ഛ x Ͻ 0.2, where the Kondo semiconducting state evolves into NFL state via a quantum critical point located at x Х 0.12.
Physical Review B, Sep 30, 2005
Physical Review Materials, Feb 26, 2021
Cadmium arsenide Cd3As2 hosts massless Dirac electrons in its ambient-conditions tetragonal phase... more Cadmium arsenide Cd3As2 hosts massless Dirac electrons in its ambient-conditions tetragonal phase. We report X-ray diffraction and electrical resistivity measurements of Cd3As2 upon cycling pressure beyond the critical pressure of the tetragonal phase and back to ambient conditions. We find that at room temperature the transition between the low-and high-pressure phases results in large microstrain and reduced crystallite size both on rising and falling pressure. This leads to non-reversible electronic properties including self-doping associated with defects and a reduction of the electron mobility by an order of magnitude due to increased scattering. Our study indicates that the structural transformation is sluggish and shows a sizable hysteresis of over 1 GPa. Therefore, we conclude that the transition is first-order reconstructive, with chemical bonds being broken and rearranged in the high-pressure phase. Using the diffraction measurements we demonstrate that annealing at ∼200°C greatly improves the crystallinity of the high-pressure phase. We show that its Bragg peaks can be indexed as a primitive orthorhombic lattice with aHP ≈ 8.68 Å, bHP ≈ 17.15 Å and cHP ≈ 18.58 Å. The diffraction study indicates that during the structural transformation a new phase with another primitive orthorhombic structure may be also stabilized by deviatoric stress, providing an additional venue for tuning the unconventional electronic states in Cd3As2.
Physical review, Jan 2, 2019
Journal of Physics: Condensed Matter, Dec 6, 2007
We report on the electronic structure and magnetic properties of the Kondo lattice system CeRhSn ... more We report on the electronic structure and magnetic properties of the Kondo lattice system CeRhSn 2 and of the reference compound LaRhSn 2. The Ce 3d and 4d x-ray photoemission spectroscopy (XPS) data point to a stable configuration of the Ce 4f shell in CeRhSn 2. The ac magnetic susceptibility measurements reveal two magnetic transitions for CeRhSn 2 at temperatures T C1 ≈ 4 K and T C2 ≈ 3 K. The temperature dependences of the ac susceptibility show also broad maxima at about 17 and 15 K for CeRhSn 2 and LaRhSn 2 , respectively. Such features hint at spin fluctuations on Rh atoms. To get detailed insight into the electronic structure of both CeRhSn 2 and LaRhSn 2 we perform ab initio band structure calculations within the local (spin) density approximation (L(S)DA) and using the LSDA + U approach to account for the strong Coulomb interactions within the Ce 4f shell. The LSDA + U approximation gives qualitatively the correct physical picture of Ce 3+ in CeRhSn 2. The reliability of the theoretical results is confirmed by the comparison of the calculated XPS valence band spectra with experimental data. A Fermi surface analysis shows that there are some parallel sections of the sheets, which could generate 'nesting' instabilities. These nesting features might be responsible for the spin fluctuations suggested by the ac susceptibility measurements.
Physical Review B, May 6, 2014
We investigate signatures of electronic correlations in the narrow-gap semiconductor FeGa3 by mea... more We investigate signatures of electronic correlations in the narrow-gap semiconductor FeGa3 by means of electrical resistivity and thermodynamic measurements performed on single crystals of FeGa3, Fe1−xMnxGa3 and FeGa3−yZny, complemented by a study of the 4d analog material RuGa3. We find that the inclusion of sizable amounts of Mn and Zn dopants into FeGa3 does not induce an insulator-to-metal transition. Our study indicates that both substitution of Zn onto the Ga site and replacement of Fe by Mn introduces states into the semiconducting gap that remain localized even at highest doping levels. Most importantly, using neutron powder diffraction measurements, we establish that FeGa3 orders magnetically above room temperature in a complex structure, which is almost unaffected by the doping with Mn and Zn. Using realistic many-body calculations within the framework of dynamical mean field theory (DMFT), we argue that while the iron atoms in FeGa3 are dominantly in an S = 1 state, there are strong charge and spin fluctuations on short time scales, which are independent of temperature. Further, the low magnitude of local contributions to the spin susceptibility advocates an itinerant mechanism for the spin response in FeGa3. Our joint experimental and theoretical investigations classify FeGa3 as a correlated band insulator with only small dynamical correlation effects, in which non-local exchange interactions are responsible for the spin gap of 0.4 eV and the antiferromagnetic order. We show that hole doping of FeGa3 leads, within DMFT, to a notable strengthening of many-body renormalizations.
arXiv (Cornell University), Sep 1, 2015
One of the early triumphs of quantum physics is the explanation why some materials are metallic w... more One of the early triumphs of quantum physics is the explanation why some materials are metallic whereas others are insulating. While a treatment based on single electron states correctly predicts the character of most materials this approach can fail spectacularly, when the electrostatic repulsion between electrons causes strong correlations. Not only can these favor new and subtle forms of order in metals, such as magnetism or superconductivity, they can even cause the electrons in a half-filled energy band to lock into position altogether, producing a correlated, or Mott insulator (1, 2). Arguably the most extreme manifestation of electronic correlations in dense electronic matter, the transition into the Mott insulating state raises a number of fundamental questions. Foremost among these is the fate of the electronic Fermi surface and the associated charge carrier mass, as the Mott transition is approached at low temperature, which have been particularly controversial in the high temperature superconducting cuprates. We report the first direct observation of the Fermi surface on the metallic side of a Mott insulating transition by high pressure quantum oscillatory measurements in NiS2. Our results point at a large Fermi surface consistent with Luttinger's theorem and a strongly enhanced carrier effective mass, suggesting that electron localization occurs via a diverging effective mass and concomitant slowing down of charge carriers as predicted theoretically (3).
Bulletin of the American Physical Society, Mar 20, 2013
The new spin-1/2 compound AgVOAsO4 shows one-dimensional magnetic behavior and a spin gap of abou... more The new spin-1/2 compound AgVOAsO4 shows one-dimensional magnetic behavior and a spin gap of about 14 K. The crystal structure of AgVOAsO4 is rather complex with alternating spin chains aligned along the [110] and [110] direction. The experimental magnetic susceptibility yields values of 40 K and 26 K for J1 and J1 ′ , respectively. The magnetization curve taken at 1.5 K cannot be fully described by only two coupling constants, which points to sizable inter chain coupling. Furthermore, the magnetization shows the closing of the spin gap at Hc1 =10.5 T and a saturation at Hc2=48.5 T. In the talk, we report the magnetic field-temperature (H-T) phase diagram of AgVOAsO4 measured by specific heat and magnetization experiments. The specific heat taken in high DC fields up to 28 T reveals a distinct double anomaly around 4 K and 2 K. Magnetization experiments follow this double structure down to mk temperatures and reveal a variety of anomalies close to the critical field Hc1 in AgVOAsO4.
Materials Science-poland, 2007
We performed a study of the compound CeRh 2 Sn 4 , not investigated so far. Our samples were care... more We performed a study of the compound CeRh 2 Sn 4 , not investigated so far. Our samples were carefully characterized by X-ray powder diffraction analysis and by locally resolved, energy dispersive X-ray spectroscopy (EDXS). We present a combined experimental and theoretical study based on X-ray photoelectron spectroscopy (XPS) data together with ab initio band structure calculations. The Ce 3d XPS spectrum indicates a small mixed valence of Ce. Analysis of the 3d 9 4f 2 weight using the Gunnarsson-Schönhammer theory suggests a hybridization between Ce 4f states and the conduction band of about 85 meV. The valence band spectrum, dominated by Rh 4d states, is in a very good agreement with the calculated one.
Materials Science-poland, 2006
Journal of Physics: Condensed Matter, Sep 1, 2008
We report on the electronic structure and basic thermodynamic properties of Ce 3 Rh 4 Sn 13 and o... more We report on the electronic structure and basic thermodynamic properties of Ce 3 Rh 4 Sn 13 and of the reference compound La 3 Rh 4 Sn 13. XPS core-level spectra revealed a stable trivalent configuration of the Ce atoms in Ce 3 Rh 4 Sn 13 , consistent with magnetic susceptibility data. Band structure calculations within the LSDA + U approximation yield the qualitatively correct description of Ce in a trivalent state. The reliability of the theoretical results has been confirmed by a comparison of the calculated XPS valence band spectra with experimental data. The calculated densities of states as well as the rare-earth (RE) 3d XPS spectra point to a weak hybridization between the RE 4f shell and the conduction band states. The band structure calculations result in a magnetic ground state for Ce 3 Rh 4 Sn 13. Previous analysis pointed to the partial occupancy of the 2a site by Sn atoms. The charge density analysis reveals the dominant metallic character of the chemical bonding at the 2a atomic position. Simulation of vacancies at the 2a site using the virtual crystal approximation (VCA) indicate that the magnetic properties of Ce 3 Rh 4 Sn 13 strongly depend on the Sn content, which could explain the discrepancy in magnetic properties between different Ce 3 Rh 4 Sn 13 samples.
Materials Science and Engineering A-structural Materials Properties Microstructure and Processing, May 1, 2021
Abstract The mechanical characteristics and the operative deformation mechanisms of a metallic al... more Abstract The mechanical characteristics and the operative deformation mechanisms of a metallic alloy can be optimised by explicitly controlling phase stability. Here an integrated thermoelastic and pseudoelastic model is presented to evaluate the β stability in Ti alloys. The energy landscape of β → α ′ / α ″ martensitic transformation was expressed in terms of the dilatational and transformational strain energy, the Gibbs free energy change, the external mechanical work as well as the internal frictional resistance. To test the model, new alloys were developed by tailoring two base alloys, Ti-6Al-4V and Ti-6Al-7Nb, with the addition of β-stabilising element Mo. The alloys exhibited versatile mechanical behaviours with enhanced plasticity. Martensitic nucleation and growth was fundamentally dominated by the competition between elastic strain energy and chemical driving force, where the latter term tends to lower the transformational energy barrier. The model incorporates thermodynamics and micromechanics to quantitatively investigate the threshold energy for operating transformation-induced plasticity and further guides alloy design.
European Physical Journal B, Feb 1, 2009
Electronic structure of the compounds CeRhIn and CeRhSn have been studied by the X-ray photoemiss... more Electronic structure of the compounds CeRhIn and CeRhSn have been studied by the X-ray photoemission spectroscopy (XPS) and ab initio band structure calculations. CeRhSn shows the non-Fermi liquid characteristics at low temperatures, while CeRhIn exhibits a Fermi-liquid ground state. At ambient temperature the XPS data reveal an intermediate valence state of Ce ions in both systems. The Ce corelevel XPS spectra are very similar and indicate the strong coupling of the Ce 4f and the conduction band states (Δ ≈ 100 meV). The valence band spectra we interpret with the help of ab initio calculations as well as using the results for the reference compounds LaRhIn and LaRhSn. The comparative analysis of the theoretical band structures and charge density plots reveal the changes in chemical bonding and the hybridization between the Ce 4f and the other valence states introduced by the replacement of In by Sn atoms. The more covalent character of the chemical bonding in the stannides is in line with the smaller thermal expansion. Finally, for CeRhIn we found a typical temperature dependence of the crystal lattice, while CeRhSn shows distinct anomaly at about 120 K, presumably related to the change in planar Ce-Rh bonds.