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JETP Letters

, Volume 101, Issue 6, pp 371–375 | Cite as

Theoretical study of γ′-Fe4N and ɛ-Fe x N iron nitrides at pressures up to 500 GPa

  • Z. I. PopovEmail author
  • K. D. Litasov
  • P. N. Gavryushkin
  • S. G. Ovchinnikov
  • A. S. Fedorov
Condensed Matter

Abstract

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.

Keywords

JETP Letter Iron Atom Formation Enthalpy Iron Nitrides Nonstoichiometric Compound 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Pleiades Publishing, Inc. 2015

Authors and Affiliations

  • Z. I. Popov
    • 1
    Email author
  • K. D. Litasov
    • 2
    • 3
  • P. N. Gavryushkin
    • 2
    • 3
  • S. G. Ovchinnikov
    • 1
  • A. S. Fedorov
    • 1
  1. 1.Kirensky Institute of Physics, Siberian BranchRussian Academy of SciencesAkademgorodok, KrasnoyarskRussia
  2. 2.Sobolev Institute of Geology and Mineralogy, Siberian BranchRussian Academy of SciencesNovosibirskRussia
  3. 3.Novosibirsk State UniversityNovosibirskRussia

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