Nonresonant inelastic x-ray scattering and energy-resolved Wannier function investigation of d-d excitations in NiO and CoO

被引：81
|
作者：
Larson, B. C. [1 ]
Ku, Wei
Tischler, J. Z.
Lee, Chi-Cheng
Restrepo, O. D.
Eguiluz, A. G.
Zschack, P.
Finkelstein, K. D.
机构：
[1] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA
[2] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA
[3] Tamkang Univ, Dept Phys, Tamsui 25137, Taiwan
[4] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA
[5] Argonne Natl Lab, Adv Photon Source, XOR UNI, Argonne, IL 60439 USA
[6] Cornell Univ, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA
来源：
PHYSICAL REVIEW LETTERS | 2007年 / 99卷 / 02期
关键词：
D O I：
10.1103/PhysRevLett.99.026401
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Nonresonant inelastic x-ray scattering measurements on NiO and CoO show that strong dipole-forbidden d-d excitations appear within the Mott gap at large wave vectors. These dominant excitations are highly anisotropic, and have [001] nodal directions for NiO. Theoretical analyses based on a novel, energy-resolved Wannier function (within the local density approximation + Hubbard U) show that the anisotropy reflects the local exciton wave functions and local point-group symmetry. The sensitivity to weak symmetry breaking in particle-hole wave functions suggests a wide application to strongly correlated systems.
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页数：4
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