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Numerical simulation of the lattice properties of Fe 1– x Co x Si – strongly correlated electron systems
Author(s) -
Povzner A. A.,
Filanovich A. N.,
Nogovitsyna T. A.
Publication year - 2017
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201700034
Subject(s) - anharmonicity , invar , thermal expansion , lattice vibration , lattice (music) , materials science , phonon , condensed matter physics , crystal structure , solid solution , electron , spintronics , thermal , heat capacity , thermodynamics , crystallography , ferromagnetism , physics , chemistry , metallurgy , quantum mechanics , acoustics
Within the framework of a thermodynamic model, the phonon anharmonicity associated with both acoustic and optical vibrations of the crystal lattice is investigated. On this basis we have performed self‐consistent simulations of thermal and elastic properties of FeSi and CoSi compounds and their solid solutions Fe 1– x Co x Si ( x = 0.1, 0.3, 0.5), which are promising spintronic materials. The non‐lattice contributions to the heat capacity and coefficient of thermal expansion of the considered systems have been established. It is shown that the Invar effect observed in Fe 0.7 Co 0.3 Si and Fe 0.5 Co 0.5 Si is associated with anomalies of their electronic and magnetic subsystems.