Standard

Electronic structure and stability of complex hydrides Mg2MHx (M = Fe, Co). / Shelyapina, M.G.; Pinyugzhanin, V.M.; Skryabina, N.E.; Hauback, B.C.

In: Physics of the Solid State, Vol. 55, No. 1, 2013, p. 12-20.

Research output: Contribution to journal › Article

Harvard

Shelyapina, MG, Pinyugzhanin, VM, Skryabina, NE & Hauback, BC 2013, 'Electronic structure and stability of complex hydrides Mg2MHx (M = Fe, Co)', Physics of the Solid State, vol. 55, no. 1, pp. 12-20. https://doi.org/10.1134/S1063783412120293

APA

Shelyapina, M. G., Pinyugzhanin, V. M., Skryabina, N. E., & Hauback, B. C. (2013). Electronic structure and stability of complex hydrides Mg2MHx (M = Fe, Co). Physics of the Solid State, 55(1), 12-20. https://doi.org/10.1134/S1063783412120293

Vancouver

Shelyapina MG, Pinyugzhanin VM, Skryabina NE, Hauback BC. Electronic structure and stability of complex hydrides Mg2MHx (M = Fe, Co). Physics of the Solid State. 2013;55(1):12-20. https://doi.org/10.1134/S1063783412120293

Author

Shelyapina, M.G. ; Pinyugzhanin, V.M. ; Skryabina, N.E. ; Hauback, B.C. / Electronic structure and stability of complex hydrides Mg2MHx (M = Fe, Co). In: Physics of the Solid State. 2013 ; Vol. 55, No. 1. pp. 12-20.

BibTeX

@article{cbf4d432ad5e41bf9e40a4008e0fbed8,
title = "Electronic structure and stability of complex hydrides Mg2MHx (M = Fe, Co)",
abstract = "This paper reports on the results of theoretical investigations carried out for the hydrides Mg2FeH6 and Mg2CoH5 and the mixed hydride Mg2(FeH6)0.5(CoH5)0.5 in terms of the full-potential linearized augmented plane wave (FLAPW) method. It has been shown that the partial substitution of the Co atoms for the Fe atoms leads to a slight increase in the stability of the hydride, but, at the same time, makes it impossible to increase the stability of the alloy. The high stability of the hydrides under investigation has been explained by the strong bonding between atoms of the transition metal and hydrogen.",
author = "M.G. Shelyapina and V.M. Pinyugzhanin and N.E. Skryabina and B.C. Hauback",
year = "2013",
doi = "10.1134/S1063783412120293",
language = "English",
volume = "55",
pages = "12--20",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "1",

}

RIS

TY - JOUR

T1 - Electronic structure and stability of complex hydrides Mg2MHx (M = Fe, Co)

AU - Shelyapina, M.G.

AU - Pinyugzhanin, V.M.

AU - Skryabina, N.E.

AU - Hauback, B.C.

PY - 2013

Y1 - 2013

N2 - This paper reports on the results of theoretical investigations carried out for the hydrides Mg2FeH6 and Mg2CoH5 and the mixed hydride Mg2(FeH6)0.5(CoH5)0.5 in terms of the full-potential linearized augmented plane wave (FLAPW) method. It has been shown that the partial substitution of the Co atoms for the Fe atoms leads to a slight increase in the stability of the hydride, but, at the same time, makes it impossible to increase the stability of the alloy. The high stability of the hydrides under investigation has been explained by the strong bonding between atoms of the transition metal and hydrogen.

AB - This paper reports on the results of theoretical investigations carried out for the hydrides Mg2FeH6 and Mg2CoH5 and the mixed hydride Mg2(FeH6)0.5(CoH5)0.5 in terms of the full-potential linearized augmented plane wave (FLAPW) method. It has been shown that the partial substitution of the Co atoms for the Fe atoms leads to a slight increase in the stability of the hydride, but, at the same time, makes it impossible to increase the stability of the alloy. The high stability of the hydrides under investigation has been explained by the strong bonding between atoms of the transition metal and hydrogen.

U2 - 10.1134/S1063783412120293

DO - 10.1134/S1063783412120293

M3 - Article

VL - 55

SP - 12

EP - 20

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 1

ER -

ID: 7381865