First principles investigation of the validity and range of applicability of the x-ray magnetic circular dichroism sum rule

Ruqian Wu, Dingsheng Wang, Arthur J Freeman

Research output: Contribution to journalArticle

167 Citations (Scopus)

Abstract

X-ray magnetic circular dichroism (MCD) spectra and orbital angular momentum, Lz, for transition metal bulk and surfaces were studied for both ground state and core hole excitations using a highly precise local density approach. For Fe(001), we predict a double peak structure in both the MCD and total absorption spectra and a strong enhancement of Iz. Surprisingly, the MCD orbital sum rule is found to be valid to within (510)%. Finally, the results suggest possible solutions to several problems faced in applying the MCD sum rule to measure Lz.

Original languageEnglish
Pages (from-to)3581-3584
Number of pages4
JournalPhysical Review Letters
Volume71
Issue number21
DOIs
Publication statusPublished - 1993

Fingerprint

sum rules
dichroism
x rays
orbitals
angular momentum
transition metals
absorption spectra
ground state
augmentation
excitation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

First principles investigation of the validity and range of applicability of the x-ray magnetic circular dichroism sum rule. / Wu, Ruqian; Wang, Dingsheng; Freeman, Arthur J.

In: Physical Review Letters, Vol. 71, No. 21, 1993, p. 3581-3584.

Research output: Contribution to journalArticle

@article{d510d598eb8a49509adfd1cfbcd249ad,
title = "First principles investigation of the validity and range of applicability of the x-ray magnetic circular dichroism sum rule",
abstract = "X-ray magnetic circular dichroism (MCD) spectra and orbital angular momentum, Lz, for transition metal bulk and surfaces were studied for both ground state and core hole excitations using a highly precise local density approach. For Fe(001), we predict a double peak structure in both the MCD and total absorption spectra and a strong enhancement of Iz. Surprisingly, the MCD orbital sum rule is found to be valid to within (510){\%}. Finally, the results suggest possible solutions to several problems faced in applying the MCD sum rule to measure Lz.",
author = "Ruqian Wu and Dingsheng Wang and Freeman, {Arthur J}",
year = "1993",
doi = "10.1103/PhysRevLett.71.3581",
language = "English",
volume = "71",
pages = "3581--3584",
journal = "Physical Review Letters",
issn = "0031-9007",
publisher = "American Physical Society",
number = "21",

}

TY - JOUR

T1 - First principles investigation of the validity and range of applicability of the x-ray magnetic circular dichroism sum rule

AU - Wu, Ruqian

AU - Wang, Dingsheng

AU - Freeman, Arthur J

PY - 1993

Y1 - 1993

N2 - X-ray magnetic circular dichroism (MCD) spectra and orbital angular momentum, Lz, for transition metal bulk and surfaces were studied for both ground state and core hole excitations using a highly precise local density approach. For Fe(001), we predict a double peak structure in both the MCD and total absorption spectra and a strong enhancement of Iz. Surprisingly, the MCD orbital sum rule is found to be valid to within (510)%. Finally, the results suggest possible solutions to several problems faced in applying the MCD sum rule to measure Lz.

AB - X-ray magnetic circular dichroism (MCD) spectra and orbital angular momentum, Lz, for transition metal bulk and surfaces were studied for both ground state and core hole excitations using a highly precise local density approach. For Fe(001), we predict a double peak structure in both the MCD and total absorption spectra and a strong enhancement of Iz. Surprisingly, the MCD orbital sum rule is found to be valid to within (510)%. Finally, the results suggest possible solutions to several problems faced in applying the MCD sum rule to measure Lz.

UR - http://www.scopus.com/inward/record.url?scp=0001181313&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001181313&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.71.3581

DO - 10.1103/PhysRevLett.71.3581

M3 - Article

VL - 71

SP - 3581

EP - 3584

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 21

ER -