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    Theoretical study of γ′-Fe4N and ɛ-FexN iron nitrides at pressures up to 500 GPa
/ Z. I. Popov [et al.] // JETP Letters. - 2015. - Vol. 101, Is. 6. - P. 371-375, DOI 10.1134/S0021364015060090. - 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) . - ISSN 0021. - ISSN 1090-6487. -
РУБ Physics, Multidisciplinary

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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Sobolev Inst Geol & Mineral, Siberian Branch, Novosibirsk 630090, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia

Доп.точки доступа:
Popov, Z. I.; Попов, Захар Иванович; Litasov, K. D.; Gavryushkin, P. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Fedorov, A. S.; Федоров, Александр Семенович