H enhancement of N vacancy migration in GaN

R. R. Wixom; A. F. Wright

doi:10.1063/1.2130389

H enhancement of N vacancy migration in GaN

R. R. Wixom
, A. F. Wright

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

7 Scopus citations

Abstract

We have used density functional theory to investigate diffusion of VN+ in the presence of H+. Optimal migration pathways were determined using the climbing image nudged elastic band and directed dimer methods. Our calculations indicate that the rate-limiting barrier for VN+ migration will be reduced by 0.58 eV by interplay with H+, which will enhance migration by more than an order of magnitude at typical GaN growth temperatures. © 2005 American Institute of Physics.

Original language	English
Pages (from-to)	1-3
Number of pages	3
Journal	Applied Physics Letters
Volume	87
Issue number	20
DOIs	https://doi.org/10.1063/1.2130389
State	Published - Nov 14 2005
Externally published	Yes

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@article{9da07b47764745409fa9b07057479b16,

title = "H enhancement of N vacancy migration in GaN",

abstract = "We have used density functional theory to investigate diffusion of VN+ in the presence of H+. Optimal migration pathways were determined using the climbing image nudged elastic band and directed dimer methods. Our calculations indicate that the rate-limiting barrier for VN+ migration will be reduced by 0.58 eV by interplay with H+, which will enhance migration by more than an order of magnitude at typical GaN growth temperatures. {\textcopyright} 2005 American Institute of Physics.",

author = "Wixom, \{R. R.\} and Wright, \{A. F.\}",

year = "2005",

month = nov,

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doi = "10.1063/1.2130389",

language = "English",

volume = "87",

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journal = "Applied Physics Letters",

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publisher = "American Institute of Physics",

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T1 - H enhancement of N vacancy migration in GaN

AU - Wixom, R. R.

AU - Wright, A. F.

PY - 2005/11/14

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N2 - We have used density functional theory to investigate diffusion of VN+ in the presence of H+. Optimal migration pathways were determined using the climbing image nudged elastic band and directed dimer methods. Our calculations indicate that the rate-limiting barrier for VN+ migration will be reduced by 0.58 eV by interplay with H+, which will enhance migration by more than an order of magnitude at typical GaN growth temperatures. © 2005 American Institute of Physics.

AB - We have used density functional theory to investigate diffusion of VN+ in the presence of H+. Optimal migration pathways were determined using the climbing image nudged elastic band and directed dimer methods. Our calculations indicate that the rate-limiting barrier for VN+ migration will be reduced by 0.58 eV by interplay with H+, which will enhance migration by more than an order of magnitude at typical GaN growth temperatures. © 2005 American Institute of Physics.

UR - https://www.scopus.com/pages/publications/27744534535

U2 - 10.1063/1.2130389

DO - 10.1063/1.2130389

M3 - Article

SN - 0003-6951

VL - 87

SP - 1

EP - 3

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 20

ER -

H enhancement of N vacancy migration in GaN

Abstract

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