Linear-response calculation of the Coulomb pseudopotential mu* for Nb

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We perform first-principles theoretical calculations of the Coulomb pseudopotential mu* for the d-band metal Nb using a dielectric matrix approach. Although localized d electrons give rise to a large local-field effect that increases the dielectric screening and reduces the strength of mu*, the enhancement of mu* due to the exchange-correlation effect is more significant, resulting in a value of 0.14 for mu*, in good agreement with what is usually assumed.
Publisher
AMERICAN PHYSICAL SOC
Issue Date
1996-07
Language
ENG
Article Type
Article
Appears in Collection
PH-Journal Papers(저널논문)
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