First-principles calculations of structural and electronics properties of YInN alloy

First-principles calculations of structural and electronics properties of YInN alloy

We study the structural and electronic properties of YxIn1-xN in the concentrations x = 0, ¼, ½, ¾, and 1 in the B1, B2, B3 and B4 structures using density functional theory (DFT). The calculations show that for Y0.75In0.25N, the B1 structure is the most favorable energetically. It was determined t...

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Bibliographic Details
Main Authors: Gladys Patricia Abdel Rahim Garzón, Jairo Arbey Rodriguez Martinez, María Guadalupe Moreno Armenta, Miguel Espitia Rico
Format: Article
Language:English
Published: Universidad Nacional de Colombia 2021-05-01
Series:Dyna
Subjects:
DFT
YInN
supercell
energy gap
semiconductor;
Online Access:https://revistas.unal.edu.co/index.php/dyna/article/view/88374

Internet

https://revistas.unal.edu.co/index.php/dyna/article/view/88374

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