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

Armando Reyes-Serrato; Donald H. Galvan

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

Materials Science 2007-05-23 v1 Superconductivity

Authors: Armando Reyes-Serrato , Donald H. Galvan

Abstract

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.

Keywords

ab initio calculation Hartree-Fock electronic correlation MgB2 superconductivity

Cite

@article{arxiv.cond-mat/0103477,
  title  = {Ab initio Hartree-Fock with electronic correlation study of the electronic properties of MgB2},
  author = {Armando Reyes-Serrato and Donald H. Galvan},
  journal= {arXiv preprint arXiv:cond-mat/0103477},
  year   = {2007}
}

Comments

11 pages (5 of text (.tex) and 6 of figures (.ps) Submitted to PRB

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