Slave boson theory of orbital differentiation with crystal field effects: Application to
Journal Article
·
· Physical Review Letters
- Florida State Univ., Tallahassee, FL (United States)
- Ames Lab. and Iowa State Univ., Ames, IA (United States)
- Rutgers Univ., Piscataway, NJ (United States)
- Rutgers Univ., Piscataway, NJ (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
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 UO2 and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Γ8 and extended Γ7 electrons.
- Research Organization:
- Ames Laboratory (AMES), Ames, IA (United States)
- Sponsoring Organization:
- USDOE
- Grant/Contract Number:
- AC02-07CH11358
- OSTI ID:
- 1355902
- Alternate ID(s):
- OSTI ID: 1348053; OSTI ID: 1357791
- Report Number(s):
- IS-J--9331
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 12 Vol. 118; ISSN 0031-9007; ISSN PRLTAO
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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