Open AccessAb Initio Calculation of Vacancy Formation Energy in Antiperovskite Mn3GaC
Author(s) -
Daniil Rasulovich Baygutlin,
М. А. Загребин,
V. V. Sokolovskiy,
V. D. Buchelnikov
Publication year - 2019
Publication title -
vestnik ûžno-uralʹskogo gosudarstvennogo universiteta. seriâ, matematika, mehanika, fizika
Language(s) - English
Resource type - Journals
eISSN - 2409-6547
pISSN - 2075-809X
DOI - 10.14529/mmph190208
Subject(s) - ferromagnetism , ab initio , vacancy defect , condensed matter physics , density functional theory , antiferromagnetism , materials science , antiperovskite , magnetic refrigeration , debye model , helmholtz free energy , thermodynamics , physics , computational chemistry , chemistry , magnetic field , quantum mechanics , magnetization , nanotechnology , layer (electronics) , nitride