Electronic structure of stressed CrSi2

We present electronic properties of CrSi2 under isotropic and anisotropic stress. Theoretical calculations were performed using the full-potential linearized-augmented-plane-wave method. The isotropic stress of the crystal leads to an almost linear variation of the direct and indirect transitions as...

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Bibliographic Details
Published in:Materials science & engineering. B, Solid-state materials for advanced technology Solid-state materials for advanced technology, 2003-08, Vol.101 (1-3), p.309-312
Main Authors: Krivosheeva, A.V., Shaposhnikov, V.L., Borisenko, V.E.
Format: Article
Language:English
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Summary:We present electronic properties of CrSi2 under isotropic and anisotropic stress. Theoretical calculations were performed using the full-potential linearized-augmented-plane-wave method. The isotropic stress of the crystal leads to an almost linear variation of the direct and indirect transitions as a function of the lattice parameter, whereas anisotropic deformations result in more complicated dependencies. Uniaxial stretching of the lattice up to 106% converts chromium disilicide into a direct-gap semiconductor with a fundamental gap of about 0.3 eV. The compression of the lattice up to 94% changes the symmetry of the transitions.
ISSN:0921-5107
DOI:10.1016/S0921-5107(02)00644-X