Dynamic and thermodynamic properties of solid helium in the reduced all-neighbours approximation of the self-consistent phonon theory

2003 ◽  
Vol 240 (1) ◽  
pp. 55-67 ◽  
Author(s):  
C. Malinowska-Adamska ◽  
P. Słoma ◽  
J. Tomaszewski
Keyword(s):  
Thermodynamic Properties ◽  
Solid Helium ◽  
The Self ◽  
Self Consistent ◽  
Phonon Theory

Physical properties of Ni fcc lattice in terms of the self-consistent phonon theory

2005 ◽  
Vol 18 (2) ◽  
pp. 751-758 ◽  
Author(s):  
Cecylia Malinowska-Adamska ◽  
Piotr Słoma ◽  
Janusz Tomaszewski
Keyword(s):  
Physical Properties ◽  
The Self ◽  
Fcc Lattice ◽  
Self Consistent ◽  
Phonon Theory

Phonon Anharmonicity and Thermodynamic Properties of Strongly Correlated Iron Monosilicide

2016 ◽  
Vol 257 ◽  
pp. 203-210 ◽  
Author(s):  
Aleksandr A. Povzner ◽  
Anton N. Filanovich ◽  
Tatyana A. Nogovitsyna
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Thermodynamic Model ◽  
Ground State ◽  
The Self ◽  
Strongly Correlated ◽  
Optical Phonons ◽  
Computational Approaches ◽  
Self Consistent ◽  
Iron Monosilicide

Two computational approaches – a thermodynamic model based on results of ab initio calculations of the ground state and the self-consistent thermodynamic model have been applied to study thermal and elastic properties of iron monosilicide. It is shown that conventional DFT fails to reproduce experimental data for this strongly correlated compound. In addition, we have performed comparative analysis of anharmonicity of the acoustic and optical phonons in FeSi and their impact on the temperature dependencies of thermodynamic properties of FeSi.

Dynamics of rare-gas floating monolayers in the self-consistent phonon theory

1986 ◽  
Vol 34 (4) ◽  
pp. 2815-2822 ◽  
Author(s):  
L. K. Moleko ◽  
B. Joos ◽  
T. M. Hakim ◽  
H. R. Glyde ◽  
S. T. Chui
Keyword(s):  
The Self ◽  
Rare Gas ◽  
Self Consistent ◽  
Phonon Theory
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