Abstract
AbstractUsing the empirical local and an energy dependent semiempirical nonlocal pseudopotential schemes, the band structures for two isoelectronic series, viz. Ge‐GaAs‐ZnSe and α‐Sn‐InSb‐CdTe are calculated. The local pseudopotential atomic form factors are determined analytically and nonlocal corrections are incorporated within an energy dependent linearly screened model. Spinorbit interactions are also included in the nonlocal calculations. The band structure and charge density calculations are found to be in very good agreement with recent experimental and theoretical results. The effect of nonlocality is assessed and charge localization and bonding trends are studied within each series.
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