Excitation pathways in resonant inelastic x-ray scattering of solids

被引:10
作者
Vorwerk, Christian [1 ,2 ,3 ]
Sottile, Francesco [3 ,4 ]
Draxl, Claudia [1 ,2 ,3 ]
机构
[1] Humboldt Univ, Phys Dept, D-10099 Berlin, Germany
[2] Humboldt Univ, IRIS Adlershof, D-10099 Berlin, Germany
[3] European Theoret Spect Facil ETSF, Rome, Italy
[4] Ecole Polytech, LSI, CNRS, CEA,Inst Polytech Paris, F-91128 Palaiseau, France
来源
PHYSICAL REVIEW RESEARCH | 2020年 / 2卷 / 04期
关键词
AB-INITIO CALCULATIONS; QUASI-PARTICLE; BAND-STRUCTURE; ABSORPTION; SPECTRUM; EDGE; SEMICONDUCTORS; EMISSION;
D O I
10.1103/PhysRevResearch.2.042003
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Resonant inelastic x-ray scattering (RIXS) is a powerful spectroscopic technique that offers an elemental- and orbital-selective probe of the electronic excitations over a huge energy range. We present a many-body approach to determine RIXS spectra in solids, yielding an intuitive expression for the RIXS cross section in terms of pathways between intermediate many-body states containing a core hole, and final many-body states containing a valence hole. Explicit excited many-body states are obtained from the diagonalization of the Bethe-Salpeter equation in an all-electron framework. For the paradigmatic example of the fluorine K edge of LiF, we show how the excitation pathways determine the spectral shape of the emission, and demonstrate the nontrivial role of electron-hole correlation in the RIXS
引用
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页数:5
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共 39 条
[1]   Ab initio calculation of the quasiparticle spectrum and excitonic effects in Li2O [J].
Albrecht, S ;
Onida, G ;
Reining, L .
PHYSICAL REVIEW B, 1997, 55 (16) :10278-10281
[2]   Resonant inelastic x-ray scattering studies of elementary excitations [J].
Ament, Luuk J. P. ;
van Veenendaal, Michel ;
Devereaux, Thomas P. ;
Hill, John P. ;
van den Brink, Jeroen .
REVIEWS OF MODERN PHYSICS, 2011, 83 (02) :705-767
[3]   Optical absorption of insulators and the electron-hole interaction: An ab initio calculation [J].
Benedict, LX ;
Shirley, EL ;
Bohn, RB .
PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4514-4517
[4]   Design, fabrication and testing of a dipole magnet made with 2G HTS wire [J].
Bogdanov, I. V. ;
Kozub, S. S. ;
Sytnik, V. V. ;
Terskiy, I. S. ;
Tkachenko, L. M. ;
Trusov, O. V. ;
Shirshov, L. S. ;
Smirnov, V. M. ;
Shuvalov, V. I. ;
Shcherbakov, P. A. ;
Molodyk, A. A. ;
Lee, S. R. ;
Samoilenkov, S. V. .
SUPERCONDUCTOR SCIENCE & TECHNOLOGY, 2016, 29 (10)
[5]   Resonant x-ray scattering beyond the Born-Oppenheimer approximation: Symmetry breaking in the oxygen resonant x-ray emission spectrum of carbon dioxide [J].
Cesar, A ;
Gelmukhanov, F ;
Luo, Y ;
Agren, H ;
Skytt, P ;
Glans, P ;
Guo, JH ;
Gunnelin, K ;
Nordgren, J .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (09) :3439-3456
[6]   Exciton dispersion from first principles [J].
Gatti, Matteo ;
Sottile, Francesco .
PHYSICAL REVIEW B, 2013, 88 (15)
[7]   Demonstration of resonant inelastic x-ray scattering as a probe of exciton-phonon coupling [J].
Geondzhian, Andrey ;
Gilmore, Keith .
PHYSICAL REVIEW B, 2018, 98 (21)
[8]   NiO as a test case for high resolution resonant inelastic soft x-ray scattering [J].
Ghiringhelli, G ;
Matsubara, M ;
Dallera, C ;
Fracassi, F ;
Gusmeroli, R ;
Piazzalunga, A ;
Tagliaferri, A ;
Brookes, NB ;
Kotani, A ;
Braicovich, L .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2005, 17 (35) :5397-5412
[9]   exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory [J].
Gulans, Andris ;
Kontur, Stefan ;
Meisenbichler, Christian ;
Nabok, Dmitrii ;
Pavone, Pasquale ;
Rigamonti, Santiago ;
Sagmeister, Stephan ;
Werner, Ute ;
Draxl, Claudia .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2014, 26 (36)
[10]   Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering [J].
Guo, Meiyuan ;
Kallman, Erik ;
Sorensen, Lasse Kragh ;
Delcey, Mickael G. ;
Pinjari, Rahul V. ;
Lundberg, Marcus .
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (29) :5848-5855