Ab initio core-level shifts in metallic alloys

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dc.creatorFiorentini, Vincenzo
dc.creatorMethfessel, Michael
dc.creatorOppo, Sabrina
dc.date1996-10-16
dc.date.accessioned2026-07-07T09:11:14Z
dc.date.available2026-07-07T09:11:14Z
dc.descriptionCore-level shifts and core-hole screening effects in alloy formation are studied ``ab initio'' by constrained-density-functional total-energy calculations. For our case study, the ordered intermetallic alloy MgAu, final-state effects are essential to account for the experimental Mg 1s shift, while they are negligible for Au 4f. We explain the differences in the screening by analyzing the calculated charge density response to the core hole perturbation.
dc.description7 pages (mrs/epsf styles included), 2 ps figures
dc.identifierhttps://arxiv.org/abs/cond-mat/9610130
dc.identifierhttp://arxiv.org/abs/cond-mat/9610130
dc.identifierMRS Proceedings 408, 495 (1996)
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/151607
dc.subjectMaterials Science
dc.titleAb initio core-level shifts in metallic alloys
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