f-ELECTRON BONDING, ELECTRONIC STRUCTURE AND PHASE TRANSITIONS IN LANTHANUM AND CERIUM.

Warren E. Pickett; A. J. Freeman; D. D. Koelling

doi:10.1016/0378-4363(80)90188-6

f-ELECTRON BONDING, ELECTRONIC STRUCTURE AND PHASE TRANSITIONS IN LANTHANUM AND CERIUM.

Warren E. Pickett^*, A. J. Freeman, D. D. Koelling

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Conference article › peer-review

13 Scopus citations

Abstract

Under pressure La and Ce show effects due to varying degrees of 4f localization, much the same as occurs in the actinide series where the 5f states change from itinerant to localized with increasing atomic number. A self-consistent Linearized Augmented Plane Wave method is used to elucidate the 4f character under changes in atomic volume (i. e. pressure) for the fcc phases of both La and Ce. In both metals, 4f occupation increases only slightly under pressure. The low temperature structural transitions of La under pressure correlate with changes of Fermi surface topology. The collapsed alpha -phase of Ce can be understood in terms of a band-like 4f state which participates weakly in bonding.

Original language	English (US)
Pages (from-to)	341-346
Number of pages	6
Journal	Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
Volume	102
Issue number	1-3
DOIs	https://doi.org/10.1016/0378-4363(80)90188-6
State	Published - 1980
Event	Proc of the Int Conf on the Phys of Actinides and Relat 4f Mater - Duration: Apr 9 1980 → Apr 11 1980

ASJC Scopus subject areas

General Engineering

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10.1016/0378-4363(80)90188-6

Cite this

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title = "f-ELECTRON BONDING, ELECTRONIC STRUCTURE AND PHASE TRANSITIONS IN LANTHANUM AND CERIUM.",

abstract = "Under pressure La and Ce show effects due to varying degrees of 4f localization, much the same as occurs in the actinide series where the 5f states change from itinerant to localized with increasing atomic number. A self-consistent Linearized Augmented Plane Wave method is used to elucidate the 4f character under changes in atomic volume (i. e. pressure) for the fcc phases of both La and Ce. In both metals, 4f occupation increases only slightly under pressure. The low temperature structural transitions of La under pressure correlate with changes of Fermi surface topology. The collapsed alpha -phase of Ce can be understood in terms of a band-like 4f state which participates weakly in bonding.",

author = "Pickett, {Warren E.} and Freeman, {A. J.} and Koelling, {D. D.}",

year = "1980",

doi = "10.1016/0378-4363(80)90188-6",

language = "English (US)",

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journal = "Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics",

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T1 - f-ELECTRON BONDING, ELECTRONIC STRUCTURE AND PHASE TRANSITIONS IN LANTHANUM AND CERIUM.

AU - Pickett, Warren E.

AU - Freeman, A. J.

AU - Koelling, D. D.

PY - 1980

Y1 - 1980

N2 - Under pressure La and Ce show effects due to varying degrees of 4f localization, much the same as occurs in the actinide series where the 5f states change from itinerant to localized with increasing atomic number. A self-consistent Linearized Augmented Plane Wave method is used to elucidate the 4f character under changes in atomic volume (i. e. pressure) for the fcc phases of both La and Ce. In both metals, 4f occupation increases only slightly under pressure. The low temperature structural transitions of La under pressure correlate with changes of Fermi surface topology. The collapsed alpha -phase of Ce can be understood in terms of a band-like 4f state which participates weakly in bonding.

AB - Under pressure La and Ce show effects due to varying degrees of 4f localization, much the same as occurs in the actinide series where the 5f states change from itinerant to localized with increasing atomic number. A self-consistent Linearized Augmented Plane Wave method is used to elucidate the 4f character under changes in atomic volume (i. e. pressure) for the fcc phases of both La and Ce. In both metals, 4f occupation increases only slightly under pressure. The low temperature structural transitions of La under pressure correlate with changes of Fermi surface topology. The collapsed alpha -phase of Ce can be understood in terms of a band-like 4f state which participates weakly in bonding.

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DO - 10.1016/0378-4363(80)90188-6

M3 - Conference article

AN - SCOPUS:0019076118

SN - 0165-1757

VL - 102

SP - 341

EP - 346

JO - Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics

JF - Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics

IS - 1-3

T2 - Proc of the Int Conf on the Phys of Actinides and Relat 4f Mater

Y2 - 9 April 1980 through 11 April 1980

ER -

f-ELECTRON BONDING, ELECTRONIC STRUCTURE AND PHASE TRANSITIONS IN LANTHANUM AND CERIUM.

Abstract

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