Ab initio calculations of the electronic topological transition in LiMg alloys

The self-consistent LDA-calculations of the electronic structure of random LiMg alloys were performed within the framework of LMTO-CPA-ASA. The Fermi surface is shown to change its topology at 18% of magnesium. The ground state properties calculated (lattice parameters, bulk moduli and Gruneisen co...

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Veröffentlicht in:	Solid state communications 1992-09, Vol.83 (11), p.867-870
Hauptverfasser:	Abrikosov, I.A., Vekilov, Yu.H., Korzhavyi, P.A., Ruban, A.V., Shilkrot, L.E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron states Exact sciences and technology Fermi surface: calculations and measurements effective mass, g factor Metals. Metallurgy Physics
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Beschreibung
Zusammenfassung:	The self-consistent LDA-calculations of the electronic structure of random LiMg alloys were performed within the framework of LMTO-CPA-ASA. The Fermi surface is shown to change its topology at 18% of magnesium. The ground state properties calculated (lattice parameters, bulk moduli and Gruneisen constants) were found to have smeared peculiarities in the vicinity of the transition point.
ISSN:	0038-1098 1879-2766
DOI:	10.1016/0038-1098(92)90902-L