Correlation between the electronic structures and diffusion paths of interstitial defects in semiconductors: The case of CdTe

Jie Ma; Jihui Yang; Su Huai Wei; Juarez L.F. Da Silva

doi:10.1103/PhysRevB.90.155208

Correlation between the electronic structures and diffusion paths of interstitial defects in semiconductors: The case of CdTe

Jie Ma
, Jihui Yang
, Su Huai Wei^*
, Juarez L.F. Da Silva

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

30 Citations (Scopus)

Abstract

Using first-principles calculations, we study the diffusions of interstitial defects Cd, Cu, Te, and Cl in CdTe. We find that the diffusion behavior is strongly correlated with the electronic structure of the interstitial diffuser.

Original language	English
Article number	155208
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	90
Issue number	15
DOIs	https://doi.org/10.1103/PhysRevB.90.155208
Publication status	Published - 30 Oct 2014
Externally published	Yes

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@article{440820e198634493ba840dba1393688f,

title = "Correlation between the electronic structures and diffusion paths of interstitial defects in semiconductors: The case of CdTe",

abstract = "Using first-principles calculations, we study the diffusions of interstitial defects Cd, Cu, Te, and Cl in CdTe. We find that the diffusion behavior is strongly correlated with the electronic structure of the interstitial diffuser.",

author = "Jie Ma and Jihui Yang and Wei, \{Su Huai\} and \{Da Silva\}, \{Juarez L.F.\}",

note = "Publisher Copyright: {\textcopyright} 2014 American Physical Society.",

year = "2014",

month = oct,

day = "30",

doi = "10.1103/PhysRevB.90.155208",

language = "English",

volume = "90",

journal = "Physical Review B - Condensed Matter and Materials Physics",

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T1 - Correlation between the electronic structures and diffusion paths of interstitial defects in semiconductors

T2 - The case of CdTe

AU - Ma, Jie

AU - Yang, Jihui

AU - Wei, Su Huai

AU - Da Silva, Juarez L.F.

PY - 2014/10/30

Y1 - 2014/10/30

N2 - Using first-principles calculations, we study the diffusions of interstitial defects Cd, Cu, Te, and Cl in CdTe. We find that the diffusion behavior is strongly correlated with the electronic structure of the interstitial diffuser.

AB - Using first-principles calculations, we study the diffusions of interstitial defects Cd, Cu, Te, and Cl in CdTe. We find that the diffusion behavior is strongly correlated with the electronic structure of the interstitial diffuser.

UR - https://www.scopus.com/pages/publications/84912051589

U2 - 10.1103/PhysRevB.90.155208

DO - 10.1103/PhysRevB.90.155208

M3 - Article

AN - SCOPUS:84912051589

SN - 1098-0121

VL - 90

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 15

M1 - 155208

ER -

Correlation between the electronic structures and diffusion paths of interstitial defects in semiconductors: The case of CdTe

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