A Calculation Model of the General Theory of Interaction Potentials for Stoichiometric Lanthanide Type Crystals: Applications to the Cs2KLnCl6 System (original ) (raw )Analysis of spectral data and comparative energy level parametrizations for Ln3+ in cubic elpasolite crystals
Peter Tanner
Journal of Alloys and Compounds, 1994
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Trends in Atomic Parameters for Crystals and Free Ions Across the Lanthanide Series: The Case of LaCl3:Ln(3.)
Peter Tanner
The Journal of Physical Chemistry A
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Crystal field levels in lanthanide systems
M.S.S. Brooks
Journal of Magnetism and Magnetic Materials, 2001
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Quantum Chemical Study of 4f→ 5d Excitations of Trivalent Lanthanide Ions Doped In the Cubic Elpasolite CsNaYCl. Ce to Tb
Luis Seijo
The Journal of chemical physics, 2005
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Thermodynamics of some lanthanide trihalides III. Reinterpretation of LnCl3 Schottky anomalies
John Gruber
The Journal of Chemical Thermodynamics, 1980
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Energy transfer between lanthanide ions in elpasolite lattices
Peter Tanner
Journal of Alloys and Compounds, 1995
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Excitation and Emission Spectra of Cs 2 NaLnCl 6 Crystals Using Synchrotron Radiation
Chang-Kui Duan , Peter Tanner
Spectroscopy Letters, 2010
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Synchrotron excitation, emission and theoretical simulation of lanthanide ions in hexachloroelpasolite crystals
Chang-Kui Duan , Peter Tanner
Journal of Physics: Condensed Matter, 2009
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Modelling crystal-field interaction for f-elements in LaCl3
V. Zhorin
Journal of Alloys and Compounds, 1998
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Comparison of 4f energy parameters for Pr in cubic elpasolite crystals
Peter Tanner
Molecular Physics, 1987
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Extraction of crystal-field parameters for lanthanide ions from quantum-chemical calculations
Chang-Kui Duan
Journal of Physics: Condensed Matter, 2011
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Thermochemical Properties (D° 0 and IP) of the Lanthanide Monohalides
Michael Heaven
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Lanthanide(III) halides: Thermodynamic properties and their correlation with crystal structure
Marcelle Gaune-Escard
Journal of Alloys and Compounds, 2008
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Phase transition mechanisms in lanthanide elemental crystals
Pierre Toledano
Europhysics Letters (EPL), 2003
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First principles methods for elpasolite halide crystal structure prediction at finite temperatures
Kelly Nicholson
Journal of Alloys and Compounds, 2013
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What use are crystal field parameters? A chemist's viewpoint
Chang-Kui Duan , Peter Tanner
The journal of physical chemistry. A, 2010
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The thermal characteristics of potassium oxalato lanthanates: K3LnOx3 · n H2O (Ln=La−Tb) and K8Ln2Ox7 · 14 H2O (Ln=Tb−Yb, Y)
Ishenkumba Kahwa
Journal of thermal analysis, 1983
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Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations in chloroelpasolite crystals
Mihail Atanasov
Chemical Physics Letters, 2004
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Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites
Tomasz Wesolowski
Journal of Chemical Theory and Computation, 2006
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Crystal field effect in RE 3+-doped lanthanum oxycyanamide, La 2O 2CN 2:RE 3+ (RE 3+=Pr 3+ and Eu 3
Eija Säilynoja
Journal of Alloys and Compounds, 1998
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A simple model for the f–d transition of actinide and heavy lanthanide ions in crystals
Chang-Kui Duan
Current Applied Physics, 2006
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Theoretical study of electronic and geometric structures of a series of lanthanide trihalides LnX(3) (Ln = La-Lu ; X = Cl, F)
Takashi Tsuchiya
Journal of Molecular Structure-Theochem, 1999
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New analyses of energy level datasets for LaCl3:Ln3+ (Ln=Pr, Nd, Er)
Peter Tanner
Journal of Alloys and Compounds, 2013
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Electronic Structure of La2O3 and LaF3 Crystals
I. Murin
physica status solidi (b), 1992
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Electron density in KCl and LiF crystals in the self-consistent local-density-functional approximation (LDA)
Pietro Cortona
Acta Crystallographica Section A Foundations of Crystallography, 1985
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Theoretical evaluation of crystalline state properties of chalcogenide crystals with sodium chloride structure
Jagdhar Mandal
2010
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Ab Initio Model Potential Embedded Cluster Study of the Structure and Spectroscopy of V3+-Doped Elpasolites K2NaScF6, Cs2NaYCl6 and Cs2NaYBr6
Luis Seijo
Journal of Molecular Structure: …, 1998
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Interatomic potential models for natural apatite crystals: Incorporating strontium and the lanthanides
Nora De Leeuw
Journal of Computational Chemistry, 2006
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Semiempirical Quantum Chemistry Model for the Lanthanides: RM1 (Recife Model 1) Parameters for Dysprosium, Holmium and Erbium
JOSE GERALDO DUTRA
PLoS ONE, 2014
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Quantum-Mechanical and Thermodynamical Study on the (110) and Reconstructed (111) Faces of NaCl Crystals
Dino Aquilano
Crystal Growth Design, 2009
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Ab initio model potential embedded-cluster study of the ground and lowest excited states of Cr[sup 3+] defects in the elpasolites Cs[sub 2]NaYCl[sub 6] and Cs[sub 2]NaYBr[sub 6]
Roland Lindh
The Journal of Chemical Physics, 1998
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Third-Order Elastic Constants of Alkali Halide Crystals
Prabhu Ghate
Physical Review, 1965
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