Ab initio calculations of polarization, piezoelectric constants, and elastic constants of InAs and InP in the wurtzite phase - Université de Rennes Accéder directement au contenu
Article Dans Une Revue Journal of Experimental and Theoretical Physics (JETP) / Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki Année : 2015

Ab initio calculations of polarization, piezoelectric constants, and elastic constants of InAs and InP in the wurtzite phase

Résumé

We report first-principle density functional calculations of the spontaneous polarization, piezoelectric stress constants, and elastic constants for the III–V wurtzite structure semiconductors InAs and InP. Using the density functional theory implemented in the VASP code, we obtain polarization values–0.011 and–0.013 C/m2, and piezoelectric constants e33 (e31) equal to 0.091 (–0.026) and 0.012 (–0.081) C/m2 for structurally relaxed InP and InAs respectively. These values are consistently smaller than those of nitrides. Therefore, we predict a smaller built-in electric field in such structures.
Fichier non déposé

Dates et versions

hal-01242391 , version 1 (12-12-2015)

Identifiants

Citer

Chahira Hajlaoui, Laurent Pedesseau, F. Raouafi, F. Ben Cheikh Larbi, Jacky Even, et al.. Ab initio calculations of polarization, piezoelectric constants, and elastic constants of InAs and InP in the wurtzite phase. Journal of Experimental and Theoretical Physics (JETP) / Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki, 2015, 121 (2), pp.246-249. ⟨10.1134/S106377611508018X⟩. ⟨hal-01242391⟩
261 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More