Structural distortion and orbital ordering in the triangular-lattice antiferromagnet NaVO2 from first principles

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	Structural distortion and orbital ordering in the triangular-lattice antiferromagnet NaVO2 from first principles
	Ouyang, ZW ; Xia, NM ; Sheng, SS ; Chen, J ; Xia, ZC ; Rao, GH ; Zheng, XH
刊名	PHYSICAL REVIEW B
	2011
卷号	83 期号:9
关键词	QUANTUM-SPIN-LIQUID SUPERCONDUCTIVITY STABILITY LIMNO2 OXIDES
ISSN号	1098-0121
通讯作者	Ouyang, ZW (reprint author), Huazhong Univ Sci & Technol, Wuhan Natl High Magnet Field Ctr, Wuhan 430074, Peoples R China.
中文摘要	Triangular-lattice antiferromagnets with the general formula ATO(2) (A = alkali metal, T = 3d transition metal) often adopt a slightly distorted crystal structure at low temperatures, accompanying a lifting of magnetic frustration and the appearance of long-range magnetic ordering and sometimes a particular orbital ordering. Taking NaVO2 as an example, we successfully demonstrate that the tiny structural distortion with a ratio of lattice parameters, a(m)/b(m) = 1.755, and the formation of orbital ordering observed in recent neutron-diffraction experiments can be well interpreted by first-principles calculations including 3d electron correlations with parameter U-eff = 3.6 eV. This distinct study on "pure" structural distortion is expected to be applied in other triangular-lattice antiferromagnetic systems.
收录类别	SCI
资助信息	Scientific Research Foundation for Returned Scholars, Huazhong University of Science and Technology [0124012014]
语种	英语
公开日期	2013-09-24
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/53296]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Ouyang, ZW,Xia, NM,Sheng, SS,et al. Structural distortion and orbital ordering in the triangular-lattice antiferromagnet NaVO2 from first principles[J]. PHYSICAL REVIEW B,2011,83(9).
APA	Ouyang, ZW.,Xia, NM.,Sheng, SS.,Chen, J.,Xia, ZC.,...&Zheng, XH.(2011).Structural distortion and orbital ordering in the triangular-lattice antiferromagnet NaVO2 from first principles.PHYSICAL REVIEW B,83(9).
MLA	Ouyang, ZW,et al."Structural distortion and orbital ordering in the triangular-lattice antiferromagnet NaVO2 from first principles".PHYSICAL REVIEW B 83.9(2011).