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Slave Boson Theory Of Orbital Differentiation With Crystal Field Effects

Title: Slave Boson Theory Of Orbital Differentiation With Crystal Field Effects: Application To Uo2.
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Name(s): Lanata, Nicola, author
Yao, Yongxin, author
Deng, Xiaoyu, author
Dobrosavljevic, Vladimir, author
Kotliar, Gabriel, author
Type of Resource: text
Genre: Journal Article
Text
Journal Article
Date Issued: 2017-03-23
Physical Form: computer
online resource
Extent: 1 online resource
Language(s): English
Abstract/Description: We derive an exact operatorial reformulation of the rotational invariant slave boson method, and we apply it to describe the orbital differentiation in strongly correlated electron systems starting from first principles. The approach enables us to treat strong electron correlations, spin-orbit coupling, and crystal field splittings on the same footing by exploiting the gauge invariance of the mean-field equations. We apply our theory to the archetypical nuclear fuel UO2 and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Gamma(8) and extended Gamma(7) electrons.
Identifier: FSU_libsubv1_wos_000397804300012 (IID), 10.1103/PhysRevLett.118.126401 (DOI)
Keywords: model, spectra, electronic-structure, mott transition, saddle-point, strongly correlated systems
Publication Note: The publisher's version of record is available at https://doi.org/10.1103/PhysRevLett.118.126401
Persistent Link to This Record: http://purl.flvc.org/fsu/fd/FSU_libsubv1_wos_000397804300012
Owner Institution: FSU
Is Part Of: Physical Review Letters.
0031-9007
Issue: iss. 12, vol. 118

Choose the citation style.
Lanata, N., Yao, Y., Deng, X., Dobrosavljevic, V., & Kotliar, G. (2017). Slave Boson Theory Of Orbital Differentiation With Crystal Field Effects: Application To Uo2. Physical Review Letters. Retrieved from http://purl.flvc.org/fsu/fd/FSU_libsubv1_wos_000397804300012