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Title: Slave boson theory of orbital differentiation with crystal field effects: Application to UO 2

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. Furthermore, we apply our theory to the archetypical nuclear fuel UO 2 and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Γ 8 and extended Γ 7 electrons.
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [4]
  1. Florida State Univ., Tallahassee, FL (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  3. Rutgers Univ., Piscataway, NJ (United States)
  4. Rutgers Univ., Piscataway, NJ (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Report Number(s):
IS-J-9331
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US1702729
Grant/Contract Number:
DMR-1410132; AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 118; Journal Issue: 12; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
OSTI Identifier:
1355902
Alternate Identifier(s):
OSTI ID: 1348053; OSTI ID: 1357791