Ab-<i>initio</i> Calculations of the Physical Properties in Gallium Nitride at Equilibrium Phases: Rocksalt and Wurtzite

Ab-<i>initio</i> Calculations of the Physical Properties in Gallium Nitride at Equilibrium Phases: Rocksalt and Wurtzite

Ab-initio total energy calculations have been performed utilizing the Density Functional Theory (DFT) inside the generalized gradient approximation (GGA) parameterized by Perdew-Burke-Ernzerhof (PBE). Interactions of the ions and electrons with each other’s was characterized via PAW potential within...

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Bibliographic Details
Main Author: Cengiz SOYKAN
Format: Article
Language:English
Published: Suleyman Demirel University 2018-04-01
Series:Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi
Subjects:
Density functional theory
Ab-initio calculations; Elastic stiffness coefficients; Phase transition pressure; Mechanical properties; Electronic structure
Online Access:http://dergipark.org.tr/sdufenbed/issue/37055/425662?publisher=sdu-1

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http://dergipark.org.tr/sdufenbed/issue/37055/425662?publisher=sdu-1

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