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 or InP nanowires.
Source:IOPscience
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