Theoretical studies of the g-shift for Cr4+ ions in GaN crystal from crystal-field and charge-transfer mechanisms

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	Theoretical studies of the g-shift for Cr4+ ions in GaN crystal from crystal-field and charge-transfer mechanisms
	W. C. Zeng; S. Y. Wu; Jian Zi
	2001
发表期刊	Journal of Physics-Condensed Matter
ISSN	0953-8984
卷号	13 期号:33 页码:7459-7464
摘要	The assignment of the 1.193 eV zero-phonon line of the 3d(2) ion in GaN crystal to the internal luminescence of Cr4+ on the Ga3+ site is analysed. Based on this assignment, the g-shift Ag (=g - g(s)) of the groundstate of this luminescence is calculated by considering not only the conventional contribution due to the crystal-field mechanism, but also the contribution due to charge-transfer mechanism. The calculated result shows good agreement with the observed value, suggesting that the assignment is reasonable. The calculated Ag due to the charge-transfer mechanism is opposite in sign and 62% in magnitude, compared with that due to the crystal-field mechanism, and so it cannot be neglected. It appears that for the 3d(2) (or 3d(n)) ion with a high valence state in crystals (particularly, in the case of the ligand having small optical electronegativity), the reasonable explanation of the g-shift should consider the contributions from both the crystal-field and charge-transfer mechanisms.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. fudan univ, surface phys lab, natl key lab, shanghai 200433, peoples r china.;zeng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china
关键词	Transition-metal Impurities Paramagnetic-resonance Epitaxial Layers Identification Luminescence Nitride Defects Gaas
URL	查看原文
WOS记录号	WOS:000170785800032
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/36895
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zeng,S. Y. Wu,Jian Zi. Theoretical studies of the g-shift for Cr4+ ions in GaN crystal from crystal-field and charge-transfer mechanisms[J]. Journal of Physics-Condensed Matter,2001,13(33):7459-7464.
APA	W. C. Zeng,S. Y. Wu,&Jian Zi.(2001).Theoretical studies of the g-shift for Cr4+ ions in GaN crystal from crystal-field and charge-transfer mechanisms.Journal of Physics-Condensed Matter,13(33),7459-7464.
MLA	W. C. Zeng,et al."Theoretical studies of the g-shift for Cr4+ ions in GaN crystal from crystal-field and charge-transfer mechanisms".Journal of Physics-Condensed Matter 13.33(2001):7459-7464.