L3M23M23 Auger energies of metallic Ni, Cu, and Zn: Influence of 3d-4s admixed screening on calculating relaxation energies

K. S. Kim, S. W. Gaarenstroom, N. Winograd

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

A theory has been developed for predicting Auger energies with the use of x-ray photoemission binding energies which is rigorous within the framework of the theory of extra-atomic relaxation developed by Shirley et al. Calculations are given for the L3M23M23 Auger energies of metallic Ni, Cu, and Zn. We argue that the atomistic approach to calculating Auger energies should be valid for Ni as it is for nontransition metals. By including the effect of the second screening orbital on the Auger energy and by taking into account the change in initial-state electronic configuration between gas-phase Ni atoms and metallic Ni, agreement with experiment can be nearly as good as for the Cu and Zn cases. The results strongly suggest that the first screening orbital is 3d-4s admixed while the second screening orbital is almost 4s-like.

Original languageEnglish (US)
Pages (from-to)2281-2286
Number of pages6
JournalPhysical Review B
Volume14
Issue number6
DOIs
StatePublished - Jan 1 1976

Fingerprint

screening
orbitals
energy
photoelectric emission
binding energy
vapor phases
configurations
electronics
metals
atoms
x rays

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

Cite this

@article{3add4373a5954a0982b43b40fe236d13,
title = "L3M23M23 Auger energies of metallic Ni, Cu, and Zn: Influence of 3d-4s admixed screening on calculating relaxation energies",
abstract = "A theory has been developed for predicting Auger energies with the use of x-ray photoemission binding energies which is rigorous within the framework of the theory of extra-atomic relaxation developed by Shirley et al. Calculations are given for the L3M23M23 Auger energies of metallic Ni, Cu, and Zn. We argue that the atomistic approach to calculating Auger energies should be valid for Ni as it is for nontransition metals. By including the effect of the second screening orbital on the Auger energy and by taking into account the change in initial-state electronic configuration between gas-phase Ni atoms and metallic Ni, agreement with experiment can be nearly as good as for the Cu and Zn cases. The results strongly suggest that the first screening orbital is 3d-4s admixed while the second screening orbital is almost 4s-like.",
author = "Kim, {K. S.} and Gaarenstroom, {S. W.} and N. Winograd",
year = "1976",
month = "1",
day = "1",
doi = "10.1103/PhysRevB.14.2281",
language = "English (US)",
volume = "14",
pages = "2281--2286",
journal = "Physical Review B",
issn = "0163-1829",
number = "6",

}

L3M23M23 Auger energies of metallic Ni, Cu, and Zn : Influence of 3d-4s admixed screening on calculating relaxation energies. / Kim, K. S.; Gaarenstroom, S. W.; Winograd, N.

In: Physical Review B, Vol. 14, No. 6, 01.01.1976, p. 2281-2286.

Research output: Contribution to journalArticle

TY - JOUR

T1 - L3M23M23 Auger energies of metallic Ni, Cu, and Zn

T2 - Influence of 3d-4s admixed screening on calculating relaxation energies

AU - Kim, K. S.

AU - Gaarenstroom, S. W.

AU - Winograd, N.

PY - 1976/1/1

Y1 - 1976/1/1

N2 - A theory has been developed for predicting Auger energies with the use of x-ray photoemission binding energies which is rigorous within the framework of the theory of extra-atomic relaxation developed by Shirley et al. Calculations are given for the L3M23M23 Auger energies of metallic Ni, Cu, and Zn. We argue that the atomistic approach to calculating Auger energies should be valid for Ni as it is for nontransition metals. By including the effect of the second screening orbital on the Auger energy and by taking into account the change in initial-state electronic configuration between gas-phase Ni atoms and metallic Ni, agreement with experiment can be nearly as good as for the Cu and Zn cases. The results strongly suggest that the first screening orbital is 3d-4s admixed while the second screening orbital is almost 4s-like.

AB - A theory has been developed for predicting Auger energies with the use of x-ray photoemission binding energies which is rigorous within the framework of the theory of extra-atomic relaxation developed by Shirley et al. Calculations are given for the L3M23M23 Auger energies of metallic Ni, Cu, and Zn. We argue that the atomistic approach to calculating Auger energies should be valid for Ni as it is for nontransition metals. By including the effect of the second screening orbital on the Auger energy and by taking into account the change in initial-state electronic configuration between gas-phase Ni atoms and metallic Ni, agreement with experiment can be nearly as good as for the Cu and Zn cases. The results strongly suggest that the first screening orbital is 3d-4s admixed while the second screening orbital is almost 4s-like.

UR - http://www.scopus.com/inward/record.url?scp=26144453483&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=26144453483&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.14.2281

DO - 10.1103/PhysRevB.14.2281

M3 - Article

AN - SCOPUS:26144453483

VL - 14

SP - 2281

EP - 2286

JO - Physical Review B

JF - Physical Review B

SN - 0163-1829

IS - 6

ER -