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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Litasov K. D., Shatskiy A. F., Ovchinnikov S. G., Popov Z. I., Ponomarev D. S., Ohtani E.
Заглавие : Phase transformations of Fe3N-Fe4N iron nitrides at pressures up to 30 GPa studied by in situ X-ray diffractometry
Коллективы : Ministry of Education and Science of the Russian Federation [14.B37.21.1261, 14.B25.31.0032]; Siberian Branch, Russian Academy of Sciences [97]
Место публикации : JETP Letters. - 2014. - Vol. 98, Is. 12. - P.805-808. - ISSN 0021-3640, DOI 10.1134/S0021364013250140. - ISSN 1090-6487
Примечания : Cited References: 23. - This work was supported by the Ministry of Education and Science of the Russian Federation (project nos. 14.B37.21.1261 and 14.B25.31.0032) and, in part, by the Siberian Branch, Russian Academy of Sciences (integration project no. 97 for 2012-2014). The experiments were performed in cooperation between the Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, and Tohoku University (Global Center of Excellence program "Advanced Science and Technology Center for the Dynamic Earth").
Предметные рубрики: EQUATION-OF-STATE
MAGNETIC-PROPERTIES
EPSILON-Fe3N1+X
1ST-PRINCIPLES
DIFFRACTION
GAMMA-Fe4N
TRANSITION
Fe4N
Аннотация: The parameters of the equation of state of the stable epsilon-Fe3Nx (where x = 0.8) nitride in the Fe-N system have been determined at pressures up to 30 GPa and temperatures up to 1273 K. The parameters V-0 = 81.48(2) angstrom(3), K-T = 162(3) GPa, K-T = 4.0 = 1.66(2), gamma(0) = 555 K, and q = 1 have been determined for epsilon-Fe3N0.8 by the approximation of the P V T data with the Vinet equation of state and the thermal parameters within the formalism. No anomalous change in the volume of the cell owing to possible magnetic transitions has been revealed. The instability of Fe4N at high pressures and Fe3N in the presence of a deficit of nitrogen in the system has been established. The stable phase in the temperature range of 300-673 K and the pressure range of 20-30 GPa is epsilon-Fe3N rather than epsilon-Fe3N0.8.
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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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