Second-order Raman spectrum of AlSb from ab initio phonon calculations and evidence for overbending in the LO phonon branch

Windl, Wolfgang and Pavone, Pasquale and Strauch, Dieter (1996) Second-order Raman spectrum of AlSb from ab initio phonon calculations and evidence for overbending in the LO phonon branch. PHYSICAL REVIEW B, 54 (12). pp. 8580-8585. ISSN 0163-1829

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Abstract

The second-order Raman spectrum of AlSb in the Gamma(1), symmetry has been calculated using ab initio phonons and phenomenological polarizability coefficients. The calculated spectrum agrees well with recent experimental data; both theory and experiment give clear evidence for the existence of an overbending in the highest frequency branch of the phonon dispersion with a saddle point at the Gamma point as predicted by Giannozzi er al. [P. Giannozzi, S. de Gironcoli, P. Pavone, and S. Baroni, Phys. Rev. B 43, 7231 (1991)]. This evidence is derived from a general discussion of the critical-point behavior. Furthermore, the overbending in AlSb is explained as an effect of the very different masses of the Al and Sb atoms in contrast to the overbending in diamond, whose origin lies in a peculiarity of the force constants.

Item Type: Article
Uncontrolled Keywords: LATTICE-DYNAMICS; SCATTERING; DIAMOND; SEMICONDUCTORS; SUPERLATTICES
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Dieter Strauch
Depositing User: Dr. Gernot Deinzer
Date Deposited: 22 Jun 2023 10:39
Last Modified: 22 Jun 2023 10:39
URI: https://pred.uni-regensburg.de/id/eprint/51475

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