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Article Dans Une Revue Journal of Physics D: Applied Physics Année : 2013

First-principles density functional theory study of strained wurtzite InP and InAs

Résumé

We report on semilocal and hybrid density functional theory study of strained wurtzite crystals of InAs and InP. The crystal-field splitting has a large and nonlinear dependence on strain for both crystals. Moreover, the study of the electronic deformation potentials reveals that the well-known quasi-cubic approximation fails to reproduce the electronic features of the non-ideal c/a ratio. This theoretical study is of crucial importance for the simulation of self-assembled InAs/InP nanowires.
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Dates et versions

hal-00920126 , version 1 (10-03-2014)

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Chahira Hajlaoui, Laurent Pedesseau, Faical Raouafi, F. Ben Cheikhlarbi, Jacky Even, et al.. First-principles density functional theory study of strained wurtzite InP and InAs. Journal of Physics D: Applied Physics, 2013, 46 (50), pp.505106. ⟨10.1088/0022-3727/46/50/505106⟩. ⟨hal-00920126⟩
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