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Structural and electronic properties of ScYN alloys and superlattices

Published online by Cambridge University Press:  05 July 2012

K. Talbi ,
Y. Cherchab  and
N. Sekkal
K. Talbi
Affiliation:
Centre Universitaire de Relizane, Relizane 48000, Algeria
Y. Cherchab
Affiliation:
Centre Universitaire de Relizane, Relizane 48000, Algeria Laboratoire de Caractérisation et Simulation des Composants et Circuits électroniques (CaSiCCe), ENSET-Oran, BP 1523 EL M’Naouer, Oran 31000, Algeria Laboratoire de Microphysique et de Nanophysique (LaMiN), ENSET-Oran, BP 1523 EL M’Naouer, Oran 31000, Algeria
N. Sekkal*
Affiliation:
Laboratoire de Caractérisation et Simulation des Composants et Circuits électroniques (CaSiCCe), ENSET-Oran, BP 1523 EL M’Naouer, Oran 31000, Algeria Laboratoire de Microphysique et de Nanophysique (LaMiN), ENSET-Oran, BP 1523 EL M’Naouer, Oran 31000, Algeria Département de Physique-Chimie, École Normale Supérieure de l’Enseignement Technologique, BP 1523, El M’Naouer, Oran 31000, Algeria Physia-Laboratory, BP 47 (RP), 22000 Sidi Bel Abbès, Algeria
*
ae-mail: nsekkal@ictp.it
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Abstract

The ternary alloys and superlattices (SLs) of cubic rock-salt ScN and YN nitrides have been investigated using the first-principle full potential linear muffin-tin orbital (FPLMTO) method based on local-density approximation (LDA) and generalized gradient approximation (GGA96). The structural parameters as well as the electronic structures of these systems have been calculated and in the light of them, fundamental direct band gaps are expected, instead of the fact that ScN and YN are indirect band gap semiconductors.

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 58 , Issue 3 , June 2012 , 30103
Copyright
© EDP Sciences, 2012

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