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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.