標題: Orbital polarization of the unoccupied states in multiferroic LiCu2O2
作者: Chen, C. L.
Yeh, K. W.
Huang, D. J.
Hsu, F. C.
Lee, Y. C.
Huang, S. W.
Guo, G. Y.
Lin, H. -J.
Rao, S. M.
Wu, M. K.
電子物理學系
Department of Electrophysics
關鍵字: antiferromagnetic materials;band structure;crystal structure;dielectric polarisation;Fermi level;gradient methods;lithium compounds;multiferroics;X-ray absorption spectra
公開日期: 1-十二月-2008
摘要: Using measurements of polarization-dependent soft-x-ray absorption and band-structure calculations including the on-site Coulomb interaction, we investigated the symmetry of the intrinsic 3d holes in the low-dimensional quantum magnet LiCu2O2 with edge-sharing spin chains. The Cu L-edge and O K-edge measurements with in-plane and out-of-plane E vectors of x ray reveal the orbital character of the valence states of Cu on different sites. The unoccupied 3d states of nominal Cu2+ exhibit predominantly xy symmetry, whereas 3d holes of 3z(2)-r(2) symmetry reside on the nominal Cu+ sites. Both the experimental observations and theoretical calculations agree on the hybridization of the O 2p and Cu 3d states above the Fermi level. The existence of 3d holes on Cu+ enhances the interlayer magnetic coupling.
URI: http://dx.doi.org/10.1103/PhysRevB.78.214105
http://hdl.handle.net/11536/149721
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.78.214105
期刊: PHYSICAL REVIEW B
Volume: 78
Issue: 21
起始頁: 0
結束頁: 0
顯示於類別:期刊論文


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