DOI: 10.1063/1.366114. Elastic properties of zinc-blende and wurtzite AlN, GaN, and InN

Elastic properties of zinc-blende and wurtzite AlN, GaN, and InN

10.1063/1.366114

Crossref journal-article

AIP Publishing

Journal of Applied Physics (317)

Abstract

Elastic constants for zinc-blende and wurtzite AlN, GaN, and InN are obtained from density-functional-theory calculations utilizing ab initio pseudopotentials and plane-wave expansions. Detailed comparisons are made with the available measured values and with results obtained in previous theoretical studies. These comparisons reveal clear discrepancies between the different sets of elastic constants which are further highlighted by examining derived quantities such as the perpendicular strain in a lattice-mismatched epitaxial film and the change in the wurtzite c/a ratio under hydrostatic pressure. Trends among results for the three compounds are also examined as well as differences between results for the zinc-blende and wurtzite phases.

Bibliography

Wright, A. F. (1997). Elastic properties of zinc-blende and wurtzite AlN, GaN, and InN. Journal of Applied Physics, 82(6), 2833â2839.

Authors 1

A. F. Wright (first)

References 36 Referenced 926

{'key': '2024020219331011100_r1', 'first-page': 'R17', 'volume': '52', 'year': '1995', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (1995)
10.1063/1.116000 / Appl. Phys. Lett. (1996)
{'key': '2024020219331011100_r3'}
10.1073/pnas.30.9.244 / Proc. Natl. Acad. Sci. USA (1944)
10.1103/PhysRev.128.2614 / Phys. Rev. (1962)
10.1103/PhysRev.136.B864 / Phys. Rev. (1964)
10.1103/PhysRev.140.A1133 / Phys. Rev. (1965)
10.1103/PhysRevLett.45.566 / Phys. Rev. Lett. (1980)
10.1103/PhysRevB.23.5048 / Phys. Rev. B (1981)
10.1103/PhysRevB.50.2159 / Phys. Rev. B (1994)
10.1103/PhysRevB.51.7866 / Phys. Rev. B (1995)
10.1103/PhysRevB.13.5188 / Phys. Rev. B (1976)
10.1103/PhysRevB.49.7115 / Phys. Rev. B (1994)
10.1103/PhysRevB.50.1502 / Phys. Rev. B (1994)
10.1103/PhysRevB.53.16 / Phys. Rev. B (1996)
{'key': '2024020219331011100_r13'}
10.1063/1.347412 / J. Appl. Phys. (1991)
10.1103/PhysRevB.6.4546 / Phys. Rev. B (1972)
{'key': '2024020219331011100_r16'}
10.1111/j.1151-2916.1993.tb03730.x / J. Am. Ceram. Soc. (1993)
{'key': '2024020219331011100_r18', 'first-page': '1598', 'volume': '15', 'year': '1979', 'journal-title': 'Izv. Akad. Nauk SSSR, Neorg. Mater.'} / Izv. Akad. Nauk SSSR, Neorg. Mater. (1979)
10.1063/1.361236 / J. Appl. Phys. (1996)
{'key': '2024020219331011100_r20', 'first-page': '547', 'volume': '219&220', 'year': '1996', 'journal-title': 'Physica B'} / Physica B (1996)
10.1103/PhysRevB.49.14 / Phys. Rev. B (1994)
10.1103/PhysRevB.47.4307 / Phys. Rev. B (1993)
{'key': '2024020219331011100_r23', 'first-page': '10', 'volume': '46', 'year': '1992', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (1992)
{'key': '2024020219331011100_r24', 'first-page': '556', 'volume': '37', 'year': '1992', 'journal-title': 'Bull. Am. Phys. Soc.'} / Bull. Am. Phys. Soc. (1992)
10.1063/1.115208 / Appl. Phys. Lett. (1995)
10.1016/0038-1098(68)90503-6 / Solid State Commun. (1968)
10.1103/PhysRevB.28.4579 / Phys. Rev. B (1983)
10.1016/0038-1098(91)90869-W / Solid State Commun. (1991)
{'key': '2024020219331011100_r29', 'first-page': 'K57', 'volume': '174', 'year': '1992', 'journal-title': 'Phys. Status Solidi B'} / Phys. Status Solidi B (1992)
10.1016/0038-1098(70)90365-0 / Solid State Commun. (1970)
10.1103/PhysRevB.45.83 / Phys. Rev. B (1992)
10.1103/PhysRevB.7.743 / Phys. Rev. B (1973)
{'key': '2024020219331011100_r33'}

Dates

Type	When
Created	23 years ago (July 26, 2002, 9:52 a.m.)
Deposited	1 year, 6 months ago (Feb. 2, 2024, 3:23 p.m.)
Indexed	3 days, 20 hours ago (Aug. 19, 2025, 6:36 a.m.)
Issued	27 years, 11 months ago (Sept. 15, 1997)
Published	27 years, 11 months ago (Sept. 15, 1997)
Published Print	27 years, 11 months ago (Sept. 15, 1997)

Funders 0

None

BibTeX

@article{Wright_1997, title={Elastic properties of zinc-blende and wurtzite AlN, GaN, and InN}, volume={82}, ISSN={1089-7550}, url={http://dx.doi.org/10.1063/1.366114}, DOI={10.1063/1.366114}, number={6}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Wright, A. F.}, year={1997}, month=sep, pages={2833–2839} }

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