NaV2O5 as a quarter-filled ladder compound

被引：237

作者：

Smolinski, H ^{[1
]}

Gros, C

Weber, W

Peuchert, U

Roth, G

Weiden, M

Geibel, C

机构：

[1] Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany

[2] Rhein Westfal TH Aachen, Inst Kristallog, D-52056 Aachen, Germany

[3] Tech Univ Darmstadt, Max Planck Inst Chem Phys Stoffe, D-64289 Darmstadt, Germany

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 80卷 / 23期

关键词：

D O I：

10.1103/PhysRevLett.80.5164

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new x-ray diffraction study of the one-dimensional spin-Peierls compound alpha'-NaV2O5 reveals a centrosymmetric (Pmmn) crystal structure with one type of V site, contrary to the previously postulated noncentrasymmetric P2(1)mm structure with two types of V sites (V+4 and V+5). Density-functional calculations indicate that NaV2O5 is a quarter-filled ladder compound with the spins carried by V-O-V molecular orbitals on the rungs of the ladder. Estimates of the charge-transfer gap and the exchange coupling agree well with experiment and explain the insulating behavior of NaV2O5 and its magnetic properties.

引用

页码：5164 / 5167

页数：4

共 28 条

[1] OBSERVATION OF A SPIN GAP IN SRCU2O3 COMPRISING SPIN-1/2 QUASI-1D 2-LEG LADDERS [J].