Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe


Deligoz E., Colakoglu K., Ciftci Y.

PHYSICA B-CONDENSED MATTER, cilt.373, sa.1, ss.124-130, 2006 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 373 Konu: 1
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1016/j.physb.2005.11.099
  • Dergi Adı: PHYSICA B-CONDENSED MATTER
  • Sayfa Sayıları: ss.124-130

Özet

Ab initio calculations, based on norm-conserving pseudopotentials and density functional theory, have been performed to investigate elastic, electronic and lattice dynamical properties of chalcogenides (CdS, CdSe, and CdTe). The calculated lattice parameters, elastic constants, band structures, and phonon dispersions are in good agreement with available experimental and theoretical results. We also presented the pressure-dependence of elastic constants and the pressure-dependence of band gaps. (c) 2005 Elsevier B.V. All rights reserved.