Calculated second-harmonic susceptibilities of BN, AlN, and GaN

Journal Article · Mon Feb 27 04:00:00 EST 1995 · Applied Physics Letters; (United States)

DOI:https://doi.org/10.1063/1.113835· OSTI ID:6457107

Chen, J; Levine, Z H; Wilkins, J W ^[1]

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1. Department of Physics, The Ohio State University, Columbus, Ohio 43210-1106 (United States)

We report calculations for the dielectric constant [var epsilon][sub [infinity]] and the second-harmonic susceptibility [ital d] for BN, AlN, and GaN in both zincblende and wurtzite structures within the Kohn--Sham local-density approximation. For wurtzite AlN and GaN, the computed [ital d][sub [ital xxz]][sup ([ital w])] and [ital d][sub [ital zzz]][sup ([ital w])] closely agree with experiment. For zincblende AlN and GaN as well as zincblende and wurtzite BN, we predict [ital d]. Our results show that the simple relation between the independent components of [ital d] predicted by bond additivity works for BN, breaks down for GaN, and completely fails for AlN.

• OSTI ID: 6457107
• Journal Information: Applied Physics Letters; (United States), Journal Name: Applied Physics Letters; (United States) Vol. 66:9; ISSN 0003-6951; ISSN APPLAB
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360606* -- Other Materials-- Physical Properties-- (1992-)
ALUMINIUM COMPOUNDS
ALUMINIUM NITRIDES
BORON COMPOUNDS
BORON NITRIDES
BREAKDOWN
DIELECTRIC PROPERTIES
ELECTRICAL PROPERTIES
FREQUENCY MIXING
GALLIUM COMPOUNDS
GALLIUM NITRIDES
HARMONIC GENERATION
NITRIDES
NITROGEN COMPOUNDS
NONLINEAR OPTICS
OPTICS
PHYSICAL PROPERTIES
PNICTIDES