Ab initio Hartree-Fock with electronic correlation study of the electronic properties of MgB2

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We performed all-electron ab initio self-consistent field Hartree-Fock linear combination of atomic orbital, in which electronic correlation using density functional were included to perform electronic calculations in MgB2 new superconductor. Superconductivity in this compound was correlated with existence of Px,y band holes at Gamma point.
11 pages (5 of text (.tex) and 6 of figures (.ps) Submitted to PRB

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Materials Science, Superconductivity

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http://salesiana.dossiersoluciones.com/handle/123456789/17518

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0103477
 http://arxiv.org/abs/cond-mat/0103477

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arXiv