Theoretical study of hydrogen in cubic GaN

Stefan K. Estreicher; Djordje M. Maric

doi:10.1557/proc-423-613

Theoretical study of hydrogen in cubic GaN

Stefan K. Estreicher, Djordje M. Maric

Physics

Research output: Contribution to journal › Conference article

12 Scopus citations

Abstract

Preliminary results of theoretical studies of hydrogen and hydrogen-related defects in cubic GaN are reported. Our calculations contrast with those of other authors in that the host crystal is represented by molecular clusters rather than periodic supercells, and that they are obtained using an all-electron methodology rather than the single effective-particle approach of density-functional theory. Our results confirm some predictions of other authors but conflict with others.

Original language	English
Pages (from-to)	613-618
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	423
DOIs	https://doi.org/10.1557/proc-423-613
State	Published - 1996
Event	Proceedings of the 1996 MRS Spring Symposium - San Francisco, CA, USA Duration: Apr 8 1996 → Apr 12 1996

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Estreicher, S. K., & Maric, D. M. (1996). Theoretical study of hydrogen in cubic GaN. Materials Research Society Symposium - Proceedings, 423, 613-618. https://doi.org/10.1557/proc-423-613

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title = "Theoretical study of hydrogen in cubic GaN",

abstract = "Preliminary results of theoretical studies of hydrogen and hydrogen-related defects in cubic GaN are reported. Our calculations contrast with those of other authors in that the host crystal is represented by molecular clusters rather than periodic supercells, and that they are obtained using an all-electron methodology rather than the single effective-particle approach of density-functional theory. Our results confirm some predictions of other authors but conflict with others.",

author = "Estreicher, {Stefan K.} and Maric, {Djordje M.}",

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T1 - Theoretical study of hydrogen in cubic GaN

AU - Estreicher, Stefan K.

AU - Maric, Djordje M.

PY - 1996

Y1 - 1996

N2 - Preliminary results of theoretical studies of hydrogen and hydrogen-related defects in cubic GaN are reported. Our calculations contrast with those of other authors in that the host crystal is represented by molecular clusters rather than periodic supercells, and that they are obtained using an all-electron methodology rather than the single effective-particle approach of density-functional theory. Our results confirm some predictions of other authors but conflict with others.

AB - Preliminary results of theoretical studies of hydrogen and hydrogen-related defects in cubic GaN are reported. Our calculations contrast with those of other authors in that the host crystal is represented by molecular clusters rather than periodic supercells, and that they are obtained using an all-electron methodology rather than the single effective-particle approach of density-functional theory. Our results confirm some predictions of other authors but conflict with others.

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U2 - 10.1557/proc-423-613

DO - 10.1557/proc-423-613

M3 - Conference article

AN - SCOPUS:0030409783

VL - 423

SP - 613

EP - 618

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

SN - 0272-9172

Y2 - 8 April 1996 through 12 April 1996

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