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

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

2001-03-23

arxiv.org/abs/cond-mat/0103477v1

Physics

Condensed Matter

Materials Science

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

Scientific paper

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.

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