Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean-field theory

被引:97
作者
Haverkort, M. W. [1 ,2 ,3 ]
Sangiovanni, G. [4 ]
Hansmann, P. [5 ]
Toschi, A. [6 ]
Lu, Y. [1 ,2 ,3 ]
Macke, S. [1 ,2 ]
机构
[1] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany
[2] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada
[3] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany
[4] Univ Wurzburg, Inst Theoret Phys & Astrophys, D-97074 Wurzburg, Germany
[5] Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
[6] Vienna Univ Technol, Inst Festkorperphys, A-1040 Vienna, Austria
基金
奥地利科学基金会;
关键词
X-RAY-ABSORPTION; ELECTRONIC-STRUCTURE; CE COMPOUNDS; SPECTRA; PHOTOEMISSION; METALS; EMISSION; DIMENSIONS; SYSTEMS; MODEL;
D O I
10.1209/0295-5075/108/57004
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Using a recently developed impurity solver we exemplify how dynamical mean-field theory captures band excitations, resonances, edge singularities and excitons in core level x-ray absorption spectroscopy (XAS) and core level photo electron spectroscopy (cPES) on metals, correlated metals and Mott insulators. Comparing XAS at different values of the core-valence interaction shows how the quasiparticle peak in the absence of core-valence interactions evolves into a resonance of similar shape, but different origin. Whereas XAS is rather insensitive to the metal insulator transition, cPES can be used, due to nonlocal screening, to measure the amount of local charge fluctuation. Copyright (C) EPLA, 2014
引用
收藏
页数:6
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共 44 条
[11]   PHOTOEMISSION FROM CE COMPOUNDS - EXACT MODEL CALCULATION IN THE LIMIT OF LARGE DEGENERACY [J].
GUNNARSSON, O ;
SCHONHAMMER, K .
PHYSICAL REVIEW LETTERS, 1983, 50 (08) :604-607
[12]   ELECTRON SPECTROSCOPIES FOR CE COMPOUNDS IN THE IMPURITY MODEL [J].
GUNNARSSON, O ;
SCHONHAMMER, K .
PHYSICAL REVIEW B, 1983, 28 (08) :4315-4341
[13]   Atomic and itinerant effects at the transition-metal x-ray absorption K pre-edge exemplified in the case of V2O3 [J].
Hansmann, P. ;
Haverkort, M. W. ;
Toschi, A. ;
Sangiovanni, G. ;
Rodolakis, F. ;
Rueff, J. P. ;
Marsi, M. ;
Held, K. .
PHYSICAL REVIEW B, 2012, 85 (11)
[14]   Determining the crystal-field ground state in rare earth heavy fermion materials using soft-X-ray absorption spectroscopy [J].
Hansmann, P. ;
Severing, A. ;
Hu, Z. ;
Haverkort, M. W. ;
Chang, C. F. ;
Klein, S. ;
Tanaka, A. ;
Hsieh, H. H. ;
Lin, H. -J. ;
Chen, C. T. ;
Fak, B. ;
Lejay, P. ;
Tjeng, L. H. .
PHYSICAL REVIEW LETTERS, 2008, 100 (06)
[15]   Core-Level Photoemission Study for Undoped Cuprates with a Dynamical Mean-Field Approach Considering Realistic Crystal Structure [J].
Hariki, Atsushi ;
Ichinozuka, Yoshiyuki ;
Uozumi, Takayuki .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2013, 82 (02)
[16]   Multiplet ligand-field theory using Wannier orbitals [J].
Haverkort, M. W. ;
Zwierzycki, M. ;
Andersen, O. K. .
PHYSICAL REVIEW B, 2012, 85 (16)
[17]   Orbital-assisted metal-insulator transition in VO2 -: art. no. 196404 [J].
Haverkort, MW ;
Hu, Z ;
Tanaka, A ;
Reichelt, W ;
Streltsov, SV ;
Korotin, MA ;
Anisimov, VI ;
Hsieh, HH ;
Lin, HJ ;
Chen, CT ;
Khomskii, DI ;
Tjeng, LH .
PHYSICAL REVIEW LETTERS, 2005, 95 (19)
[18]   Electronic structure calculations using dynamical mean field theory [J].
Held, K. .
ADVANCES IN PHYSICS, 2007, 56 (06) :829-926
[19]   Nonlocal screening effect in Cu 4pσ-1s resonant X-ray emission spectra in Nd2CuO4 [J].
Idé, T ;
Kotani, A .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2000, 69 (09) :3107-3114
[20]   First-principles multielectron calculations of Ni L2,3 NEXAFS and ELNES for LiNiO2 and related compounds -: art. no. 075123 [J].
Ikeno, H ;
Tanaka, I ;
Koyama, Y ;
Mizoguchi, T ;
Ogasawara, K .
PHYSICAL REVIEW B, 2005, 72 (07)