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Vibrational Spectroscopy of GaN:Mg Under Pressure

Published online by Cambridge University Press:  21 March 2011

M.D. McCluskey ,
K.K. Zhuravlev ,
M. Kneissl ,
W. Wong ,
D. Treat ,
S. Limpijumnong ,
C.G. Van de Walle  and
N.M. Johnson
M.D. McCluskey
Affiliation:
Department of Physics and Institute for Shock Physics, Washington State University, Pullman, WA 99164-2814, U.S.A.
K.K. Zhuravlev
Affiliation:
Department of Physics and Institute for Shock Physics, Washington State University, Pullman, WA 99164-2814, U.S.A.
M. Kneissl
Affiliation:
Xerox PARC, 3333 Coyote Hill Rd., Palo Alto, CA 94304, U.S.A.
W. Wong
Affiliation:
Xerox PARC, 3333 Coyote Hill Rd., Palo Alto, CA 94304, U.S.A.
D. Treat
Affiliation:
Xerox PARC, 3333 Coyote Hill Rd., Palo Alto, CA 94304, U.S.A.
S. Limpijumnong
Affiliation:
Xerox PARC, 3333 Coyote Hill Rd., Palo Alto, CA 94304, U.S.A.
C.G. Van de Walle
Affiliation:
Xerox PARC, 3333 Coyote Hill Rd., Palo Alto, CA 94304, U.S.A.
N.M. Johnson
Affiliation:
Xerox PARC, 3333 Coyote Hill Rd., Palo Alto, CA 94304, U.S.A.
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Abstract

The microscopic structure of Mg-H complexes in GaN has been a subject of intense theoretical and experimental investigation. In order to probe the Mg-H structure, we have studied the effect of hydrostatic pressure on the local vibrational mode (LVM) frequency. At ambient pressure, the LVM frequency is 3125 cm-1, which corresponds to a N-H stretching mode. In this study, Fourier-transform spectroscopy was performed on free-standing GaN:Mg,H samples in a diamond-anvil cell, with nitrogen as a pressure-transmitting fluid. The samples had been removed from their sapphire substrate by the laser-liftoff technique. The LVM frequency was measured, at liquid helium temperatures, for pressures ranging from 0 to 5 GPa. The pressure dependence of the frequency is nonlinear: first it decreases with pressure, then it increases. Comparison with first-principles calculations allows us to derive information about the microscopic structure of the Mg-H complex. The calculated stable configuration indeed gives rise to a frequency shift consistent with experiment. Based on the comparison between theory and experiment, we can exclude the bond-center configuration, which would result in a much larger pressure derivative than experimentally observed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 693 , 2001 , I2.4.1
Copyright
Copyright © Materials Research Society 2002

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