Linked Life Data

16714118

Source:http://linkedlifedata.com/resource/pubmed/id/16714118

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
1
pubmed:dateCreated
2006-10-23
pubmed:abstractText
We discuss the application of the ab initio program FEFF8 to calculations of electron energy-loss spectroscopy (EELS), focusing in particular on core-loss spectra. FEFF8 is based on a self-consistent, real space multiple scattering formalism. We focus on issues relevant to practical simulations, including the construction of well-converged potentials, the treatment of inelastic losses and exchange-correlation potentials and the core-hole. We also discuss how to account for experimental conditions, for example, sample orientation and finite temperature effects such as Debye-Waller factors. Finally we discuss the interpretation of the spectra in terms of electronic structure and local projected density of states (LDOS). As an explicit example, we illustrate various features of the code by application to the ionization edges of GaN.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:issn
0968-4328
pubmed:author
pubmed:issnType
Print
pubmed:volume
38
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1-11
pubmed:year
2007
pubmed:articleTitle
Practical aspects of electron energy-loss spectroscopy (EELS) calculations using FEFF8.
pubmed:affiliation
Centro Atómico Bariloche, Materials Department, 8400 San Carlos de Bariloche, Argentina. smoreno@cab.cnea.gov.ar
pubmed:publicationType
Journal Article