Spin-singlet contributions to zero-field splitting of a 3d(4) ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2

IMR OpenIR

	Spin-singlet contributions to zero-field splitting of a 3d(4) ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2
	X. M. Tan; X. Y. Kuang; K. W. Zhou; C. Lu; Q. S. Zhu
	2006
发表期刊	Journal of Physics-Condensed Matter
ISSN	0953-8984
卷号	18 期号:5 页码:1705-1713
摘要	The complete energy matrix including all the spin states is constructed for d(4) ions in tetragonal symmetry within a strong-field representation. The excitation levels, fine-structure splitting, and EPR parameters in Rb2CrCl4 and CrF2 are studied with the energy matrix. The contributions of the spin singlets to zero-field splitting (ZFS) are investigated for the first time. The results show that the spin-singlet contribution to D is negligible, but the contributions to a and F cannot be neglected.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china. sichuan univ, dept phys, chengdu 610065, peoples r china. china ctr adv sci & technol, world lab, beijing 100080, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_txm@163.com scu_kxy@163.com
关键词	Tetragonal Sites Crystal-field 3d(6) Ions Parameters Epr Symmetry
URL	查看原文
WOS记录号	WOS:000235921400026
引用统计	被引频次：2[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/321006/34482
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. M. Tan,X. Y. Kuang,K. W. Zhou,et al. Spin-singlet contributions to zero-field splitting of a 3d(4) ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2[J]. Journal of Physics-Condensed Matter,2006,18(5):1705-1713.
APA	X. M. Tan,X. Y. Kuang,K. W. Zhou,C. Lu,&Q. S. Zhu.(2006).Spin-singlet contributions to zero-field splitting of a 3d(4) ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2.Journal of Physics-Condensed Matter,18(5),1705-1713.
MLA	X. M. Tan,et al."Spin-singlet contributions to zero-field splitting of a 3d(4) ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2".Journal of Physics-Condensed Matter 18.5(2006):1705-1713.