Hamburg 2001 – scientific programme
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HL: Halbleiterphysik
HL 24: Poster II
HL 24.37: Poster
Thursday, March 29, 2001, 10:30–19:00, Rang S\ 3
Ab initio calculations of GaAs and InAs phonons under stress — •María Machón1, Pablo Ordejón2, Stephanie Reich1, Alejandro Goñi1, and Christian Thomsen1 — 1Institut für Festkörperphysik, Technische Universität Berlin, 10623 Berlin — 2Instituto de Ciencia de Materiales de Barcelona-CSIC, 08193 Bellaterra, Spain
We performed ab initio LDA calculations of the equilibrium structures of GaAs and InAs under hydorstatic pressure and uniaxial stress. For the relaxed structure we calculated the phonon frequencies and studied their shift and splitting under different kinds of stress. We discuss our results in view of the strains present in InAs/GaAs heterostructures and the experimental strain determination by measuring the phonon frequencies.