Downloads: 108 | Views: 330
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
Please Disable the Pop-Up Blocker of Web Browser
Verification Code will appear in 2 Seconds ... Wait