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Phase transformations of Fe3N-Fe4N iron nitrides at pressures up to 30 GPa studied by in situ X-ray diffractometry / K. D. Litasov [et al.] // JETP Letters. - 2014. - Vol. 98, Is. 12. - P. 805-808, DOI 10.1134/S0021364013250140. - 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"). . - ISSN 0021-3640. - ISSN 1090-6487

РУБ Physics, Multidisciplinary
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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Публикация на русском языке Фазовые превращения нитридов железа Fe3N–Fe4N при давлении до 30 ГПа, исследованные методом in situ рентгеновской дифрактометрии [Текст] / К. Д. Литасов [и др.] // Письма в Журн. эксперим. и теор. физ. - 2013. - Т. 98 Вып. 11-12. - С. 907-911

Держатели документа:
Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Tohoku Univ, Grad Sch Sci, Dept Earth & Planetary Mat Sci, Sendai, Miyagi 9808578, Japan

Доп.точки доступа:
Litasov, K. D.; Shatskiy, A. F.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Popov, Z. I.; Попов, Захар Иванович; Ponomarev, D. S.; Ohtani, E.; Ministry of Education and Science of the Russian Federation [14.B37.21.1261, 14.B25.31.0032]; Siberian Branch, Russian Academy of Sciences [97]
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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
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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Публикация на русском языке Теоретическое исследование нитридов железа γ'-Fe4N и ε-FexN при давлениях до 500 ГПа [Текст] / З. И. Попов [и др.] // Письма в Журн. эксперим. и теор. физ. : Наука, 2015. - Т. 101 Вып. 5-6. - С. 405-409

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
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