Exceptionally strong magnetism in the 4d perovskites RTcO3 (R = Ca, Sr, Ba)

doi:10.1103/PhysRevB.83.220402

IMR OpenIR

	Exceptionally strong magnetism in the 4d perovskites RTcO3 (R = Ca, Sr, Ba)
	Franchini, C.1,2,3; Archer, T.4,5; He, Jiangang 1,2; Chen, Xing-Qiu 3; Filippetti, A.6; Sanvito, S.4,5
通讯作者	Franchini, C.(cesare.franchini@univie.ac.at)
	2011-06-13
发表期刊	PHYSICAL REVIEW B
ISSN	1098-0121
卷号	83 期号:22 页码:4
摘要	The evolution of the magnetic ordering temperature of the 4d(3) perovskites RTcO3 (R = Ca, Sr, Ba) and its relation with its electronic and structural properties has been studied by means of hybrid density functional theory and Monte Carlo simulations. When compared to the most widely studied 3d perovskites the large spatial extent of the 4d shells and their relatively strong hybridization with oxygen weaken the tendency to form Jahn-Teller like orbital ordering. This strengthens the superexchange interaction. The resulting insulating G-type antiferromagnetic ground state is characterized by large superexchange coupling constants (26-35 meV) and Neel temperatures (750-1200 K). These monotonically increase as a function of the R ionic radius due to the progressive enhancement of the volume and the associated decrease of the cooperative rotation of the TcO6 octahedra.
资助者	CAS ; NSFC ; EU within EU-INDIA
DOI	10.1103/PhysRevB.83.220402
收录类别	SCI
语种	英语
资助项目	CAS ; NSFC[51050110444] ; EU within EU-INDIA
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000291601600001
出版者	AMER PHYSICAL SOC
引用统计	被引频次：40[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/321006/107071
专题	中国科学院金属研究所
通讯作者	Franchini, C.
作者单位	1.Univ Vienna, Fac Phys, A-1090 Vienna, Austria 2.Univ Vienna, Ctr Computat Mat Sci, A-1090 Vienna, Austria 3.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Shenyang, Peoples R China 4.Trinity Coll Dublin, Sch Phys, Dublin 2, Ireland 5.Trinity Coll Dublin, CRANN, Dublin 2, Ireland 6.Univ Cagliari, Dipartimento Fis, UOS Cagliari, CNR IOM, I-09042 Monserrato, CA, Italy
推荐引用方式 GB/T 7714	Franchini, C.,Archer, T.,He, Jiangang,et al. Exceptionally strong magnetism in the 4d perovskites RTcO3 (R = Ca, Sr, Ba)[J]. PHYSICAL REVIEW B,2011,83(22):4.
APA	Franchini, C.,Archer, T.,He, Jiangang,Chen, Xing-Qiu,Filippetti, A.,&Sanvito, S..(2011).Exceptionally strong magnetism in the 4d perovskites RTcO3 (R = Ca, Sr, Ba).PHYSICAL REVIEW B,83(22),4.
MLA	Franchini, C.,et al."Exceptionally strong magnetism in the 4d perovskites RTcO3 (R = Ca, Sr, Ba)".PHYSICAL REVIEW B 83.22(2011):4.