Abstract
Ground state properties of the divalent rare earth metals Eu and Yb at ambient and high pressures are investigated by calculating their band structures and total energies using the linearized muffin-tin orbital method. To monitor the strengths of the 4f interactions in the local density approximation the hybridization of the 4f electrons is either fully included (itinerant model) or completely neglected (localized model). The effects of spin-polarization are also included for Eu. Divalent to trivalent valence transitions under pressure are discussed and compared with recent X-ray absorption experiments. For Yb, the structural stability of its fcc, bcc and hcp phases is investigated and results are presented.
| Original language | English |
|---|---|
| Pages (from-to) | 277-286 |
| Number of pages | 10 |
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 59 |
| Issue number | 3-4 |
| DOIs | |
| Publication status | Published - 1986 |
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ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Electronic and structural properties of rare earth metals at normal and high pressures : Eu and Yb. / Min, B. I.; Jansen, H. J F; Oguchi, T.; Freeman, Arthur J.
In: Journal of Magnetism and Magnetic Materials, Vol. 59, No. 3-4, 1986, p. 277-286.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Electronic and structural properties of rare earth metals at normal and high pressures
T2 - Eu and Yb
AU - Min, B. I.
AU - Jansen, H. J F
AU - Oguchi, T.
AU - Freeman, Arthur J
PY - 1986
Y1 - 1986
N2 - Ground state properties of the divalent rare earth metals Eu and Yb at ambient and high pressures are investigated by calculating their band structures and total energies using the linearized muffin-tin orbital method. To monitor the strengths of the 4f interactions in the local density approximation the hybridization of the 4f electrons is either fully included (itinerant model) or completely neglected (localized model). The effects of spin-polarization are also included for Eu. Divalent to trivalent valence transitions under pressure are discussed and compared with recent X-ray absorption experiments. For Yb, the structural stability of its fcc, bcc and hcp phases is investigated and results are presented.
AB - Ground state properties of the divalent rare earth metals Eu and Yb at ambient and high pressures are investigated by calculating their band structures and total energies using the linearized muffin-tin orbital method. To monitor the strengths of the 4f interactions in the local density approximation the hybridization of the 4f electrons is either fully included (itinerant model) or completely neglected (localized model). The effects of spin-polarization are also included for Eu. Divalent to trivalent valence transitions under pressure are discussed and compared with recent X-ray absorption experiments. For Yb, the structural stability of its fcc, bcc and hcp phases is investigated and results are presented.
UR - http://www.scopus.com/inward/record.url?scp=0022734252&partnerID=8YFLogxK
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U2 - 10.1016/0304-8853(86)90423-3
DO - 10.1016/0304-8853(86)90423-3
M3 - Article
AN - SCOPUS:0022734252
VL - 59
SP - 277
EP - 286
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
SN - 0304-8853
IS - 3-4
ER -