Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra

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	Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra; Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra
	K. Xiao-Yu; M. Ai-Jie; W. Hui
	2008 ; 2008
发表期刊	Journal of Physical Chemistry A ; Journal of Physical Chemistry A
ISSN	1089-5639 ; 1089-5639
卷号	112 期号:4 页码:737-743
摘要	On the basis of the 120 x 120 complete energy matrix, the local lattice structures of the octahedral (CrO6)(9-) clusters for Cr3+ ions doping in a variety of oxide crystals with D-3d or C-3 nu site symmetry have been studied by employing two distorted parameters, respectively. By simulating the calculated EPR and optical spectra data to the experimental results, the local lattice structure parameters are determined unambiguously. It is shown, by means of a series of calculations, that although the local lattice structures around the M (M = Al3+, Ga3+, Li+, Sc3+, etc.) ions in host crystals are obviously different, the local lattice structures of the octahedral (CrO6)(9-) clusters in a variety of oxide crystals doped with Cr3+ ions are similar and fluctuant in the vicinity of that of the Cr2O3. This may be ascribed to the fact that there is the similarly octahedral (CrO6)(9-) clusters in a variety of oxide crystals doped with Cr3+ and the Cr2O3 crystal. Our viewpoint is consistent with that of Gaudry et al. [Phys. Rev. B 2003, 67, 094108].; On the basis of the 120 x 120 complete energy matrix, the local lattice structures of the octahedral (CrO6)(9-) clusters for Cr3+ ions doping in a variety of oxide crystals with D-3d or C-3 nu site symmetry have been studied by employing two distorted parameters, respectively. By simulating the calculated EPR and optical spectra data to the experimental results, the local lattice structure parameters are determined unambiguously. It is shown, by means of a series of calculations, that although the local lattice structures around the M (M = Al3+, Ga3+, Li+, Sc3+, etc.) ions in host crystals are obviously different, the local lattice structures of the octahedral (CrO6)(9-) clusters in a variety of oxide crystals doped with Cr3+ ions are similar and fluctuant in the vicinity of that of the Cr2O3. This may be ascribed to the fact that there is the similarly octahedral (CrO6)(9-) clusters in a variety of oxide crystals doped with Cr3+ and the Cr2O3 crystal. Our viewpoint is consistent with that of Gaudry et al. [Phys. Rev. B 2003, 67, 094108].
部门归属	[xiao-yu, kuang; ai-jie, mao; hui, wang] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [xiao-yu, kuang] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;xiao-yu, k (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com ; [xiao-yu, kuang; ai-jie, mao; hui, wang] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [xiao-yu, kuang] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;xiao-yu, k (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com
关键词	Electron-paramagnetic-resonance Electron-paramagnetic-resonance Superposition-model Analysis Superposition-model Analysis Phase-transitions Phase-transitions Cubic Field Cubic Field Cr-3++ Ions Cr-3++ Ions Symmetry Symmetry Ruby Ruby Fluorescence Fluorescence Centers Centers Alpha-liio3 Alpha-liio3
URL	查看原文 ; 查看原文
WOS记录号	WOS:000252618700020 ; WOS:000252618700020
引用统计	被引频次：11[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/321006/33230
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	K. Xiao-Yu,M. Ai-Jie,W. Hui. Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra, Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra[J]. Journal of Physical Chemistry A, Journal of Physical Chemistry A,2008, 2008,112, 112(4):737-743, 737-743.
APA	K. Xiao-Yu,M. Ai-Jie,&W. Hui.(2008).Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra.Journal of Physical Chemistry A,112(4),737-743.
MLA	K. Xiao-Yu,et al."Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra".Journal of Physical Chemistry A 112.4(2008):737-743.