Formation of VNH and MgV NH in p-type GaN(Mg,H)

A. F. Wright; S. M. Myers; M. Sanati; S. K. Estreicher

doi:10.1016/j.physb.2005.12.122

Formation of V_NH and MgV _NH in p-type GaN(Mg,H)

A. F. Wright, S. M. Myers, M. Sanati, S. K. Estreicher

Physics

Research output: Contribution to journal › Conference article › peer-review

1 Scopus citations

Abstract

The reactions VN+1+H+→(VNH)+2 and (MgVN)0+H+→(MgVNH)+1 in GaN were investigated using density-functional theory. Estimates of the reaction rates indicate that (VNH)+2 and (MgVNH)+1 will form rapidly above 400°C, and modeling predicts that their populations will be substantial at elevated temperatures. These results indicate that compensation by VN is important in p-type GaN and that H suppression of VN formation is less effective than previously suggested.

Original language	English
Pages (from-to)	477-481
Number of pages	5
Journal	Physica B: Condensed Matter
Volume	376-377
Issue number	1
DOIs	https://doi.org/10.1016/j.physb.2005.12.122
State	Published - Apr 1 2006
Event	Proceedings of the 23rd International Conference on Defects in Semiconductors - Duration: Jul 24 2005 → Jul 29 2005

Keywords

Gallium nitride
Hydrogen
Magnesium doping
Nitrogen vacancy

Access to Document

10.1016/j.physb.2005.12.122

Cite this

@article{8803ab49a047488f95f81629edd73150,

title = "Formation of VNH and MgV NH in p-type GaN(Mg,H)",

abstract = "The reactions VN+1+H+→(VNH)+2 and (MgVN)0+H+→(MgVNH)+1 in GaN were investigated using density-functional theory. Estimates of the reaction rates indicate that (VNH)+2 and (MgVNH)+1 will form rapidly above 400°C, and modeling predicts that their populations will be substantial at elevated temperatures. These results indicate that compensation by VN is important in p-type GaN and that H suppression of VN formation is less effective than previously suggested.",

keywords = "Gallium nitride, Hydrogen, Magnesium doping, Nitrogen vacancy",

author = "Wright, {A. F.} and Myers, {S. M.} and M. Sanati and Estreicher, {S. K.}",

note = "Funding Information: The ab initio total-energy and molecular-dynamics package, VASP, was developed at the Institute f{\"u}r Theoretische Physik of the Technische Universit{\"a}t Wien. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work was partly supported by the Office of Basic Energy Sciences of the United States Department of Energy. The work of SKE was supported in part by the R.A. Welch Foundation.; null ; Conference date: 24-07-2005 Through 29-07-2005",

year = "2006",

month = apr,

day = "1",

doi = "10.1016/j.physb.2005.12.122",

language = "English",

volume = "376-377",

pages = "477--481",

journal = "Physica B: Condensed Matter",

issn = "0921-4526",

number = "1",

}

TY - JOUR

T1 - Formation of VNH and MgV NH in p-type GaN(Mg,H)

AU - Wright, A. F.

AU - Myers, S. M.

AU - Sanati, M.

AU - Estreicher, S. K.

N1 - Funding Information: The ab initio total-energy and molecular-dynamics package, VASP, was developed at the Institute für Theoretische Physik of the Technische Universität Wien. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work was partly supported by the Office of Basic Energy Sciences of the United States Department of Energy. The work of SKE was supported in part by the R.A. Welch Foundation.

PY - 2006/4/1

Y1 - 2006/4/1

N2 - The reactions VN+1+H+→(VNH)+2 and (MgVN)0+H+→(MgVNH)+1 in GaN were investigated using density-functional theory. Estimates of the reaction rates indicate that (VNH)+2 and (MgVNH)+1 will form rapidly above 400°C, and modeling predicts that their populations will be substantial at elevated temperatures. These results indicate that compensation by VN is important in p-type GaN and that H suppression of VN formation is less effective than previously suggested.

AB - The reactions VN+1+H+→(VNH)+2 and (MgVN)0+H+→(MgVNH)+1 in GaN were investigated using density-functional theory. Estimates of the reaction rates indicate that (VNH)+2 and (MgVNH)+1 will form rapidly above 400°C, and modeling predicts that their populations will be substantial at elevated temperatures. These results indicate that compensation by VN is important in p-type GaN and that H suppression of VN formation is less effective than previously suggested.

KW - Gallium nitride

KW - Hydrogen

KW - Magnesium doping

KW - Nitrogen vacancy

UR - http://www.scopus.com/inward/record.url?scp=33645163654&partnerID=8YFLogxK

U2 - 10.1016/j.physb.2005.12.122

DO - 10.1016/j.physb.2005.12.122

M3 - Conference article

AN - SCOPUS:33645163654

VL - 376-377

SP - 477

EP - 481

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

SN - 0921-4526

IS - 1

Y2 - 24 July 2005 through 29 July 2005

ER -

Formation of V_NH and MgV _NH in p-type GaN(Mg,H)

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this