نوع مقاله : ویژه نامه
نویسندگان
1 دانشجو/دانشگاه شهید چمران
2 دانشگاه شهید چمران
3 دانشگاه شهید چمران اهواز
چکیده
کلیدواژهها
عنوان مقاله [English]
نویسنده [English]
In this paper the structural, electronic and phononic properties of InN in a wurtzite structure
have been studied. The calculations have been performed using a pseudoptential method in the framework of Density Functional Theory (DFT) by PWscf package with LDA, GGA and PBE0 approximations for the exchange and correlation potential terms. Calculated band gap for InN in the hexagonal phase is equal to 2.2 eV at the point. The mostly contributed in the valence band and in conduction band of the s-orbital nitrogen atom and orbital s and p indium atoms. The phonon spectrum shows a frequency gap in 209.885 to 453.112 cm-1 that in this range will have complete reflection.
کلیدواژهها [English]
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