First-principles investigation of polytypic defects in InP

Abstract In this paper we study polytypic defects in Indium Phosphide (InP) using the complementary first-principles methods of density functional theory and non-equilibrium Greens functions. Specifically we study interfaces between the ground state Zincblende crystal structure and the meta-stable W...

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Bibliographic Details
Main Authors: Christian Dam Vedel, Søren Smidstrup, Vihar P. Georgiev
Format: Article
Language:English
Published: Nature Portfolio 2022-11-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-24239-w