Cohesive properties of uranium dioxide

P. J. Kelly; M.S.S. Brooks

doi:10.1016/0378-4363(80)90131-X

Cohesive properties of uranium dioxide

P. J. Kelly^*, M.S.S. Brooks

^*Corresponding author for this work

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

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Abstract

The results of self-consistent linear muffin-tin orbital calculations for uranium dioxide as a function of lattice parameter are reported. The change of total energy with volume is zero for a lattice parameter within 0. 5% of the experimental equilibrium. The gap between valence and conduction bands is determined to be 5. 35 eV and the valence bandwidth to be 5. 6 eV.

Original language	English
Pages (from-to)	81-83
Number of pages	3
Journal	Physica B+C
Volume	102
Issue number	1-3
DOIs	https://doi.org/10.1016/0378-4363(80)90131-X
Publication status	Published - Oct 1980
Externally published	Yes
Event	International Conference on the Physics of Actinides and Related 4f Matter 1980 - Duration: 9 Apr 1980 → 11 Apr 1980

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10.1016/0378-4363(80)90131-X

1-s2.0-037843638090131X-mainFinal published version, 203 KB

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@article{425a093074314ebd81bece20e37944f9,

title = "Cohesive properties of uranium dioxide",

abstract = "The results of self-consistent linear muffin-tin orbital calculations for uranium dioxide as a function of lattice parameter are reported. The change of total energy with volume is zero for a lattice parameter within 0. 5% of the experimental equilibrium. The gap between valence and conduction bands is determined to be 5. 35 eV and the valence bandwidth to be 5. 6 eV.",

author = "Kelly, {P. J.} and M.S.S. Brooks",

year = "1980",

month = oct,

doi = "10.1016/0378-4363(80)90131-X",

language = "English",

volume = "102",

pages = "81--83",

journal = "Physica B+C",

issn = "0378-4363",

publisher = "North-Holland Publ Co",

number = "1-3",

note = "International Conference on the Physics of Actinides and Related 4f Matter 1980 ; Conference date: 09-04-1980 Through 11-04-1980",

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TY - JOUR

T1 - Cohesive properties of uranium dioxide

AU - Kelly, P. J.

AU - Brooks, M.S.S.

PY - 1980/10

Y1 - 1980/10

N2 - The results of self-consistent linear muffin-tin orbital calculations for uranium dioxide as a function of lattice parameter are reported. The change of total energy with volume is zero for a lattice parameter within 0. 5% of the experimental equilibrium. The gap between valence and conduction bands is determined to be 5. 35 eV and the valence bandwidth to be 5. 6 eV.

AB - The results of self-consistent linear muffin-tin orbital calculations for uranium dioxide as a function of lattice parameter are reported. The change of total energy with volume is zero for a lattice parameter within 0. 5% of the experimental equilibrium. The gap between valence and conduction bands is determined to be 5. 35 eV and the valence bandwidth to be 5. 6 eV.

U2 - 10.1016/0378-4363(80)90131-X

DO - 10.1016/0378-4363(80)90131-X

M3 - Conference article

AN - SCOPUS:0019077741

VL - 102

SP - 81

EP - 83

JO - Physica B+C

JF - Physica B+C

SN - 0378-4363

IS - 1-3

T2 - International Conference on the Physics of Actinides and Related 4f Matter 1980

Y2 - 9 April 1980 through 11 April 1980

ER -

Cohesive properties of uranium dioxide

Abstract

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