Open AccessFirst-principle calculations of structural properties and effective-mass of zinc-blende ZnTe and CdTe
Author(s) -
Dang He,
Xiaoshuang Chen,
Limei Sun,
Zhou Xiao-Hao,
Lu Wei
Publication year - 2005
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.54.5293
Subject(s) - effective mass (spring–mass system) , brillouin zone , hamiltonian (control theory) , condensed matter physics , electronic structure , physics , electronic band structure , materials science , quantum mechanics , mathematical optimization , mathematics
The electronic band structures of zinc-blende ZnTe and CdTe are calculated by using a self-consistent full-potential linearized augmented plane-wave method within the first-principle formalism. In order to clarify the electronic properties near the Brillouin-zone (BZ) center and give an effective guideline on the material design for electronic and optical devices, we link the first-principle band calculations with the effective-mass approximation. The electronic properties are analytically studied on the basis of the effective-mass Hamiltonian for zinc-blende symmetry. The effective-mass parameters, such as crystal-field splitting, spin-orbit splitting, electronic effective mass,and the hole effective mass and the corresponding Luttinger-like parameters, are determined by reproducing the calculated band structures near the BZ center. The obtained results are in good agreement with available experimental and theoretical values.