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Electronic, bonding...
Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles - art. no. 115108
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- Skorodumova, Natalia V. (author)
- Uppsala universitet,Fysiska institutionen
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Ahuja, Rajeev (author)
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Simak, SI (author)
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Abrikosov, IA (author)
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Johansson, Börje (author)
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Lundqvist, BI (author)
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(creator_code:org_t)
- AMERICAN PHYSICAL SOC, 2001
- 2001
- English.
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In: PHYSICAL REVIEW B. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 6411:11, s. 5108-+ Language: English
- Related links:
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https://urn.kb.se/re...
Abstract
Subject headings
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- First-principles electronic structure calculations of cerium oxide in two forms, CeO2 and Ce2O3, are Presented. The 4f state of Ce is treated as a part of the inner core in Ce2O3 and as a valence-band-like state in CeO2,. The calculated ground-state and m
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- SPIN-DENSITY APPROXIMATION; CERIUM DIOXIDE; ORBITAL POLARIZATION; BRILLOUIN-ZONE; SPECIAL POINTS; BAND THEORY; SYSTEMS; LOCALIZATION; TRANSITION; SPECTRA
Publication and Content Type
- ref (subject category)
- art (subject category)
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