International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Call for Papers | Fully Refereed | Open Access | Double Blind Peer Reviewed

ISSN: 2319-7064


Downloads: 108 | Views: 275

Research Paper | Material Science | Nepal | Volume 6 Issue 6, June 2017 | Popularity: 6.6 / 10


     

First Principle Calculation of Lattice Constants for Generalised Quasirandom Structures of Ingan Alloy

Rohin Sharma, Shison Maharjan, Rajendra P. Adhikari


Abstract: This paper presents calculations of ground state total energy of InGaN alloy carried out in a disordered quasirandom structure for a triclinic super cell. This structure replicates the disorder and composition effect in the alloy. First principle calculations within the density functional theory with the local density approximation approach are employed to accurately determine the lattice constants for different concentration ratios of the alloy. We provide precise results of quasirandom structures of the alloy and their lattice constants with the total energy of the system for the entire range of compositions with their respective parameters.


Keywords: Ground State, DFT, LDA, XC, SCF


Edition: Volume 6 Issue 6, June 2017


Pages: 1817 - 1826



Make Sure to Disable the Pop-Up Blocker of Web Browser




Text copied to Clipboard!
Rohin Sharma, Shison Maharjan, Rajendra P. Adhikari, "First Principle Calculation of Lattice Constants for Generalised Quasirandom Structures of Ingan Alloy", International Journal of Science and Research (IJSR), Volume 6 Issue 6, June 2017, pp. 1817-1826, https://www.ijsr.net/getabstract.php?paperid=ART20174558, DOI: https://www.doi.org/10.21275/ART20174558



Similar Articles

Downloads: 2 | Weekly Hits: ⮙2 | Monthly Hits: ⮙2

Research Paper, Material Science, India, Volume 12 Issue 2, February 2023

Pages: 1011 - 1015

Influence of Chill Material on Micro Structure and Mechanical Properties of Al6061-B4C Composite

Leela B N, Dr. N D Prasanna, Dr. Balasubramanya H S

Share this Article

Downloads: 2 | Weekly Hits: ⮙2 | Monthly Hits: ⮙2

Research Paper, Material Science, India, Volume 12 Issue 4, April 2023

Pages: 1317 - 1320

Measurements of Nonlinear Absorption and Refraction Coefficients of Pure and Nd Doped Calcium Lanthanum Borate Glasses

Gajanan B. Harde

Share this Article

Downloads: 2 | Weekly Hits: ⮙2 | Monthly Hits: ⮙2

Research Paper, Material Science, Algeria, Volume 12 Issue 7, July 2023

Pages: 1202 - 1206

Simulation of the Optical Properties of Zn1-xCoxO Thin Films Grown Onto Glass Substrate by Ultrasonic Spray Pyrolysis

Sabrina Roguai, Abdelkader Djelloul

Share this Article

Downloads: 3 | Weekly Hits: ⮙1 | Monthly Hits: ⮙1

Research Paper, Material Science, India, Volume 10 Issue 7, July 2021

Pages: 981 - 983

Structural and Magnetic Properties of Zn2+ Doped Cobalt Ferrite Nanoparticles Synthesized by Sol-gel Auto Combustion Method

Ravindra C. Alange

Share this Article

Downloads: 41

Research Paper, Material Science, Cameroon, Volume 8 Issue 1, January 2019

Pages: 2016 - 2111

Improvement of Fluorinated Products Consumption in an Electrolysis Series for Primary Aluminum

Theodore Tchotang, Paul Vianey Nguepy, Lucien Meva'a, Bienvenu Kenmeugne

Share this Article
Top