AbstractAb initio calculations of optical-phonon deformation potentials (ODP's), i.e., d0, d30, d10 (val) and d10 (con) for sixteen semiconductors were carried out systematically. The calculations are based on the LMTO-ASA band-structure method within the framework of the frozen-phonon approximation model, in which the displacement of empty sphere is considered to match its atomic sphere partners, We have compared the d0 values obtained by several different theoretical calculation methods and studied the main factors affecting them. It is pointed out that the two different models (rhombohedral strain model and frozen-phonon model) for calculations will lead to different results of d0.
Received: 13 July 1991
Accepted manuscript online:
PACS:
63.20.D-
(Phonon states and bands, normal modes, and phonon dispersion)
Fund: Project supported by the National Natural Science Foundation of China.
Cite this article:
WANG REN-ZHI (王仁智), KE SAN-HUANG (柯三黄), HUANG MEI-CHUN (黄美纯) AB INITIO CALCULATIONS OF OPTICAL PHONON DEFORMATION POTENTIALS IN DIAMOND AND ZINC-BLENDE SEMICONDUCTORS 1992 Acta Physica Sinica (Overseas Edition) 1 202
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