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, A. J.
N1 - Funding Information:
This work was supported by the Air Force Office of Scientific Research (Grant no. 81-0024). One of us (AJF) thanks L.J. Varnerin for handling the editorial aspects of this paper ~ including the anonymous refereeing.
PY - 1986/6
Y1 - 1986/6
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.
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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 -