Geodesic
Selection of optimal parameters for formation the most accurate model of BCC iron
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, no. 2 (2010), pp. 97-101 Cet article a éte moissonné depuis la source Math-Net.Ru

Voir la notice de l'article

First-principles modeling of the equilibrium structure and properties of BCC iron are carried out by WIEN2k code. Optimal parameters that allow forming the most accurate model are obtained.
Keywords: first-principles modeling
Mots-clés : BCC iron. 
@article{VYURM_2010_2_a15,
     author = {A. V. Ursaeva and G. E. Ruzanova and A. A. Mirzoev},
     title = {Selection of optimal parameters for formation the most accurate model {of~BCC} iron},
     journal = {Vestnik \^U\v{z}no-Uralʹskogo gosudarstvennogo universiteta. Seri\^a, Matematika, mehanika, fizika},
     pages = {97--101},
     year = {2010},
     number = {2},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VYURM_2010_2_a15/}
}
TY  - JOUR
AU  - A. V. Ursaeva
AU  - G. E. Ruzanova
AU  - A. A. Mirzoev
TI  - Selection of optimal parameters for formation the most accurate model of BCC iron
JO  - Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika
PY  - 2010
SP  - 97
EP  - 101
IS  - 2
UR  - http://geodesic.mathdoc.fr/item/VYURM_2010_2_a15/
LA  - ru
ID  - VYURM_2010_2_a15
ER  - 
%0 Journal Article
%A A. V. Ursaeva
%A G. E. Ruzanova
%A A. A. Mirzoev
%T Selection of optimal parameters for formation the most accurate model of BCC iron
%J Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika
%D 2010
%P 97-101
%N 2
%U http://geodesic.mathdoc.fr/item/VYURM_2010_2_a15/
%G ru
%F VYURM_2010_2_a15
A. V. Ursaeva; G. E. Ruzanova; A. A. Mirzoev. Selection of optimal parameters for formation the most accurate model of BCC iron. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, no. 2 (2010), pp. 97-101. http://geodesic.mathdoc.fr/item/VYURM_2010_2_a15/

[1] S. Cottenier, Density Functional Theory and the family of (L)APW-methods: a step-by-step introduction, 2004

[2] H. C. Herper, E. Hoffmann, P. Entel, “Ab initio full-potential study of the structural and magnetic phase stability of iron”, Phys. Rev. B, 60 (1999), 3839 | DOI

[3] R. Iglesias, S. L. Palacios, “Ab initio studies on the magnetic phase stability of iron”, Acta Materialia, 55 (2007), 5123 | DOI