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To(Γ) phonons in GaAs under uniaxial strain (1993)

Lino, A. T. ; Meskini, N. ; Alves, H. W. L. ; [et al.]

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 45 (1993), S. 43-49

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Using the density-functional theory in the local-density approximation, norm-conserving pseudopotentials, and plane-wave expansions, we have developed a simple way to calculate ab initio the uniaxial strain dependence of the TO(Γ) phonon mode in GaAs, including the envolved relaxations effects. The relaxation response of the system was evaluated from the use of the elasticity theory. Our results confirm the experimental evidence and show a reasonable agreement with the observed data for the frequency splitting of this phonon mode. © 1993 John Wiley & Sons, Inc.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560450107

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