Satyam Shinde - Academia.edu (original) (raw)
Papers by Satyam Shinde
Environmental Technology & Innovation, 2021
Pressure dependent lattice specific heat and mode Grüneisen parameters for group III nitrides. [A... more Pressure dependent lattice specific heat and mode Grüneisen parameters for group III nitrides. [AIP Conference Proceedings 1249, 174 (2010)]. Satyam Shinde, Ankur Pandya, Prafulla K. Jha. Abstract. The pressure dependent ...
Pramana-journal of Physics, 2008
This paper reports the lattice dynamical study of the UGe2 using a lattice dynamical model theory... more This paper reports the lattice dynamical study of the UGe2 using a lattice dynamical model theory based on pairwise interactions under the framework of the shell model. The calculated phonon dispersion curves and phonon density of states are in good agreement with the measured data.
Pramana-journal of Physics, 2004
We have investigated the phonon dispersion curves and one-phonon density of states up to the pres... more We have investigated the phonon dispersion curves and one-phonon density of states up to the pressure of 8 GPa using a theoretical model, namely the rigid ion model. The transverse acoustic phonons as a function of pressure have been compared with the recently measured inelastic neutron scattering data which show a strong softening near the zone boundaries. The calculated one-phonon density of states show pronounced shift in the peak positions with the increase in pressure.
A lattice dynamical study of InP, GaP and BP under pressure is reported by using two lattice dyna... more A lattice dynamical study of InP, GaP and BP under pressure is reported by using two lattice dynamical model theories namely, the rigid ion and deformation bond approximation models. It is observed that the energies of the optical phonons and longitudinal acoustic phonons stiffen with pressure, while the transverse acoustic phonon frequency softens. The phonon density of states shows pronounced shift in the frequency spectra with pressure. The mode Grüneisen parameter indicates that the TA phonon modes have negative values and responsible for the lattice softening. The lattice specific heat at constant volume, C V increases with pressure. The obtained results are, in general, good agreement with available data.
Physica B-condensed Matter, 2004
The present work employs interionic potential approach based on charge transfer effect to calcula... more The present work employs interionic potential approach based on charge transfer effect to calculate and describe the high pressure phase transition and elastic behaviour of the diluted magnetic semiconductors Zn 1Àx M x Se (M=Cd, Fe and Mn). We have obtained a reasonably good agreement between present calculated values and experimentally observed data on the phase transition pressures. The volume collapses and high pressure behaviours are also in reasonably good agreement with the available data for all compounds under consideration. The variations of elastic constants and their combinations with pressure follow a systematic trend, identical to that observed in other compounds of zinc blende structure family. The present approach has also succeeded in predicting the Born and relative stability criteria. r
In this work we have investigated the structural, mechanical, electronic, phonon and thermodynami... more In this work we have investigated the structural, mechanical, electronic, phonon and thermodynamical properties of yttrium monochalcogenides (YX: X = S, Se and Te) in the rocksalt phase using state-ofthe-art first principles density functional theory. The calculated results of optimized lattice parameters, elastic constants, and bulk modulus agree well with the available experimental and other theoretical values. The electronic band structure of the yttrium monochalcogenides reveals the metallic character of these compounds. The shear modulus, Young's modulus, Poisson's ratio and Lame's constants are calculated and discussed in detail. The calculated mechanical properties indicate that the considered yttrium monochalcogenides are brittle in nature. The Debye temperature of yttrium compounds is also calculated. The first time reported phonon dispersion curves and phonon density of states for YS, YSe and YTe calculated using ab initio first principles calculations shows that the B1 phase of YS, YSe and YTe is lattice dynamically stable at ambient conditions. The temperature dependence of thermodynamical properties on temperature is also calculated by using the quasi harmonic approximation and discussed. The variation of constant volume lattice-specific heat with temperature obeys the classical Dulong-Petit's law at high temperature, while at low-temperature it obeys the Debye's T 3 law.
Environmental Technology & Innovation, 2021
Pressure dependent lattice specific heat and mode Grüneisen parameters for group III nitrides. [A... more Pressure dependent lattice specific heat and mode Grüneisen parameters for group III nitrides. [AIP Conference Proceedings 1249, 174 (2010)]. Satyam Shinde, Ankur Pandya, Prafulla K. Jha. Abstract. The pressure dependent ...
Pramana-journal of Physics, 2008
This paper reports the lattice dynamical study of the UGe2 using a lattice dynamical model theory... more This paper reports the lattice dynamical study of the UGe2 using a lattice dynamical model theory based on pairwise interactions under the framework of the shell model. The calculated phonon dispersion curves and phonon density of states are in good agreement with the measured data.
Pramana-journal of Physics, 2004
We have investigated the phonon dispersion curves and one-phonon density of states up to the pres... more We have investigated the phonon dispersion curves and one-phonon density of states up to the pressure of 8 GPa using a theoretical model, namely the rigid ion model. The transverse acoustic phonons as a function of pressure have been compared with the recently measured inelastic neutron scattering data which show a strong softening near the zone boundaries. The calculated one-phonon density of states show pronounced shift in the peak positions with the increase in pressure.
A lattice dynamical study of InP, GaP and BP under pressure is reported by using two lattice dyna... more A lattice dynamical study of InP, GaP and BP under pressure is reported by using two lattice dynamical model theories namely, the rigid ion and deformation bond approximation models. It is observed that the energies of the optical phonons and longitudinal acoustic phonons stiffen with pressure, while the transverse acoustic phonon frequency softens. The phonon density of states shows pronounced shift in the frequency spectra with pressure. The mode Grüneisen parameter indicates that the TA phonon modes have negative values and responsible for the lattice softening. The lattice specific heat at constant volume, C V increases with pressure. The obtained results are, in general, good agreement with available data.
Physica B-condensed Matter, 2004
The present work employs interionic potential approach based on charge transfer effect to calcula... more The present work employs interionic potential approach based on charge transfer effect to calculate and describe the high pressure phase transition and elastic behaviour of the diluted magnetic semiconductors Zn 1Àx M x Se (M=Cd, Fe and Mn). We have obtained a reasonably good agreement between present calculated values and experimentally observed data on the phase transition pressures. The volume collapses and high pressure behaviours are also in reasonably good agreement with the available data for all compounds under consideration. The variations of elastic constants and their combinations with pressure follow a systematic trend, identical to that observed in other compounds of zinc blende structure family. The present approach has also succeeded in predicting the Born and relative stability criteria. r
In this work we have investigated the structural, mechanical, electronic, phonon and thermodynami... more In this work we have investigated the structural, mechanical, electronic, phonon and thermodynamical properties of yttrium monochalcogenides (YX: X = S, Se and Te) in the rocksalt phase using state-ofthe-art first principles density functional theory. The calculated results of optimized lattice parameters, elastic constants, and bulk modulus agree well with the available experimental and other theoretical values. The electronic band structure of the yttrium monochalcogenides reveals the metallic character of these compounds. The shear modulus, Young's modulus, Poisson's ratio and Lame's constants are calculated and discussed in detail. The calculated mechanical properties indicate that the considered yttrium monochalcogenides are brittle in nature. The Debye temperature of yttrium compounds is also calculated. The first time reported phonon dispersion curves and phonon density of states for YS, YSe and YTe calculated using ab initio first principles calculations shows that the B1 phase of YS, YSe and YTe is lattice dynamically stable at ambient conditions. The temperature dependence of thermodynamical properties on temperature is also calculated by using the quasi harmonic approximation and discussed. The variation of constant volume lattice-specific heat with temperature obeys the classical Dulong-Petit's law at high temperature, while at low-temperature it obeys the Debye's T 3 law.