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полный	информационный	краткий

Поисковый запрос: (<.>S=ε-Fe3N1+x<.>)

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Popov Z. I., Litasov K. D., Gavryushkin P. N., Ovchinnikov S. G., Fedorov A. S.
Заглавие : Theoretical study of γ′-Fe4N and ɛ-FexN iron nitrides at pressures up to 500 GPa
Место публикации : JETP Letters. - 2015. - Vol. 101, Is. 6. - P.371-375. - ISSN 0021, DOI 10.1134/S0021364015060090. - ISSN 10906487(eISSN)
Примечания : Cited References:27. - This work was supported by the Russian Science Foundation (project no. 14-17-00601), by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project Nos. MD-500.2013.5 and NSh-2886.2014.2), by the Ministry of Education and Science of the Russian Federation (project no. 14.B25.31.0032), and by the Presidium of the Russian Academy of Sciences (project no. 2.16)
Предметные рубрики: Initio molecular-dynamics
Augmented-wave method
Magnetic-properties
Transition
ε-Fe3N1+x
Core
Fe4N
Аннотация: The parameters of equations of state of stoichiometric and nonstoichiometric phases of the γ′-Fe4N, ɛ-Fe3N0.75, ɛ-Fe3N, ɛ-Fe3N1.25, and ɛ-Fe3N1.5 iron nitrides in a pressure range up to 500 GPa have been determined using ab initio calculations. The points of the sharp drop and disappearance of the magnetic moment on iron atoms have been found. It has been shown that certain changes in the magnetic moment are accompanied by a change in the volume of a unit cell of the nitrides. The calculated parameters of equations of state demonstrate that the compressibility of both magnetic and nonmagnetic iron nitrides decreases monotonically with an increase in the content of nitrogen.
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