Research PapersNo Access

FIRST-PRINCIPLES STUDIES ON THE ELECTRONIC STRUCTURE OF BaCuSi₂O₆

T. JEONG

Hanshin University, 411 Yangsandong, Osan, South Korea

https://doi.org/10.1142/S0217979210055767Cited by:0 (Source: Crossref)

Abstract

The electronic properties of BaCuSi₂O₆ are studied by band structure calculation based on the density functional theory within local density approximation. We find that the electronic structure and properties are dominated by the layered character of the crystal structure arising from the in plane Cu 3d and O 2p electron interactions.

Keywords:

PACS: 71.18.+y, 72.20.Eh, 75.30.Mb

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