Configurations, energies, and thermodynamics of the neutral MgH complex in GaN

Atomic configurations corresponding to local-energy minima for the neutral MgH complex in wurtzite GaN are identified using density-functional theory and the generalized-gradient approximation for exchange and correlation. MgH binding energies, H local-mode vibration frequencies, and configurational...

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Veröffentlicht in:	Journal of applied physics 2003-10, Vol.94 (8), p.4918-4922
Hauptverfasser:	Wright, A. F., Myers, S. M.
Format:	Artikel
Sprache:	eng
Schlagworte:	APPROXIMATIONS CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS CONCENTRATION RATIO CONFIGURATION REFLECTION SPECTRA THERMODYNAMICS
Online-Zugang:	Volltext
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