Electronic structure of BaCu$_2$As$_2$ and SrCu$_2$As$_2$: sp-band metals

Details Electronic structure of BaCu$_2$As$_2$ and SrCu$_2$As$_2$: sp-band metals Electronic structure of BaCu$_2$As$_2$ and SrCu$_2$As$_2$: sp-band metals

2009-02-14

arxiv.org/abs/0902.2502v1

Phys. Rev. B 79, 153102 (2009)

Physics

Condensed Matter

Superconductivity

Scientific paper

10.1103/PhysRevB.79.153102

The electronic structures of ThCr$_2$Si$_2$ structure BaCu$_2$As$_2$ and SrCu$_2$As$_2$ are investigated using density functional calculations. The Cu $d$ orbitals are located at 3 eV and higher binding energy, and are therefore chemically inert with little contribution near the Fermi energy. These materials are moderate density of states, sp-band metals with large Fermi surfaces and low anisotropy.

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