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Nonlocal Pseudopotential Calculations for Two Isoelectronic Series: Ge‐GaAs‐ZnSe and α‐Sn‐InSb‐CdTe
Author(s) -
Humphreys T. P.,
Srivastava G. P.
Publication year - 1982
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221120228
Subject(s) - pseudopotential , series (stratigraphy) , cadmium telluride photovoltaics , quantum nonlocality , electronic band structure , charge (physics) , condensed matter physics , chemistry , energy (signal processing) , atomic physics , physics , materials science , quantum mechanics , nanotechnology , quantum , paleontology , quantum entanglement , biology
Using 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.