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Route to a correct description of the fundamental properties of cubic InN

type de publication      article dans une revue internationale avec comité de lecture
date de publication 10-29-2007
auteur(s) Briki M.; Zaoui Ali; Boutaiba F.; Ferhat M.
journal (abréviation) Applied Physics Letters (Appl. Phys. Lett.)
volume (numéro) 91
numéro de papier 182105
  
résumé The main fundamental properties of the cubic InN are studied within the density functional theory. We used the full-potential augmented plane wave method with two different exchange-correlation potentials, the Perdew-Wang (PW) and the Engel-Vosko (EV) approximations, in both cases nonrelativistic and relativistic. We found that the PW and relativistic approximations give a metallic ground state. The use of the EV and nonrelativistic approximations gives, however, a semiconductor phase with a band-gap value of 0.57 eV, which is in fairly good agreement with the recent measurement of 0.61 eV.
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