Entropy-driven stabilization of a novel configuration for acceptor-hydrogen complexes in GaN

被引：29

作者：

Limpijumnong, S

Northrup, JE

Van de Walle, CG

机构：

[1] Xerox Corp, Palo Alto Res Ctr, Palo Alto, CA 94304 USA

[2] Suranaree Univ Technol, Sch Phys, Inst Sci, Nakhon Ratchasima, Thailand

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 87卷 / 20期

关键词：

Hydrogen atoms - Low energy rotational excitations - Vibrational spectroscopy;

D O I：

10.1103/PhysRevLett.87.205505

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a model for the microscopic structure of Mg-H complexes in GaN, explaining the unusual bond angle observed in recent vibrational spectroscopy studies. The structure is not the lowest-energy configuration at T = 0, but it is stabilized at elevated temperatures due to the large entropy associated with a set of low-energy rotational excitations. The rotational excitation spectrum is calculated using a quantum-mechanical model in which the hydrogen atom moves in a weak corrugation potential. Consequences for experiment are discussed.

引用

页码：205505/1 / 205505/4

页数：4

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