2007/03/01 by J. -M. Jancu, Jean‐Marc Jancu, P. Voisin · 3 citations
Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Heusler alloys: electronic and magnetic properties #Superconductivity in MgB2 and Alloys #cond-mat.mtrl-sci #cond-mat.other
paper · pdf · doi:10.1103/physrevb.76.115202
1 Figure
arxiv created 2007/03/01 · openalex publication_date 2007/09/18 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
The deformation potentials of cubic semiconductors are reexamined from the point of view of the extended-basis sp3d5s* tight-binding model. Previous parametrizations had failed to account properly for trigonal deformations, even leading to incorrect sign of the acoustic component of the shear deformation potential d. The strain-induced shifts and splittings of the on-site energies of the p and d orbitals are shown to play a prominent role in obtaining satisfactory values of deformation potentials both at the zone center and zone extrema. The present approach results in excellent agreement with available experimental data and recent ab initio calculations.