Ferromagnetically Coupled Shastry-Sutherland Quantum Spin Singlets in (CuCl)LaNb2O7

被引:29
|
作者
Tassel, C. [1 ]
Kang, J. [2 ]
Lee, C. [2 ]
Hernandez, O. [3 ]
Qiu, Y. [4 ]
Paulus, W. [3 ]
Collet, E. [5 ]
Lake, B. [6 ,7 ]
Guidi, T. [6 ,8 ]
Whangbo, M-H [2 ]
Ritter, C. [9 ]
Kageyama, H. [1 ]
Lee, S-H [10 ]
机构
[1] Kyoto Univ, Grad Sch Engn, Dept Energy & Hydrocarbon Chem, Kyoto 6158510, Japan
[2] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA
[3] Univ Rennes 1, CNRS, Sci Chim Rennes UMR 6226, F-35042 Rennes, France
[4] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA
[5] Univ Rennes 1, Inst Phys Rennes, CNRS, UMR 6251, F-35042 Rennes, France
[6] Helmholtz Zentrum Berlin Mat & Energie, D-14109 Berlin, Germany
[7] Tech Univ Berlin, Inst Festkorperphys, D-10623 Berlin, Germany
[8] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England
[9] Inst Laue Langevin, F-38042 Grenoble, France
[10] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA
基金
美国国家科学基金会;
关键词
FRUSTRATED SQUARE-LATTICE; AUGMENTED-WAVE METHOD; CL;
D O I
10.1103/PhysRevLett.105.167205
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
A thorough crystal structure determination at very low temperature of (CuCl)LaNb2O7, originally proposed as a spin-1/2 square-lattice antiferromagnet, is reported thanks to the use of single-crystal x-ray diffraction and powder neutron diffraction. State-of-the-art calculations (maximum entropy method) reveal that (CuCl)LaNb2O7 is orthorhombic with Pbam symmetry. First-principles calculations demonstrate that the dominant magnetic interactions are antiferromagnetic between fourth nearest neighbors with a Cu-Cl-Cl-Cu exchange path, which lead to the formation of spin singlets. The two strongest interactions between the singlets are ferromagnetic, which makes (CuCl)LaNb2O7 the first system of ferromagnetically coupled Shastry-Sutherland quantum spin singlets.
引用
收藏
页数:4
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