Effects of Al doping on the structural and electronic properties of Mg(1-x)Al(x)B2

Details Effects of Al doping on the structural and electronic properties of Mg(1-x)Al(x)B2 Effects of Al doping on the structural and electronic properties of Mg(1-x)Al(x)B2

2002-02-28

arxiv.org/abs/cond-mat/0203003v1

Physics

Condensed Matter

Superconductivity

4 pages (revtex) and 4 figures (postscript)

Scientific paper

10.1103/PhysRevB.66.012511

We have studied the structural and electronic properties of Mg(1-x)Al(x)B2 within the Virtual Crystal Approximation (VCA) by means of first-principles total-energy calculations. Results for the lattice parameters, the electronic band structure, and the Fermi surface as a function of Al doping for 0

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