Contact hyperfine field at Fe nuclei from density functional calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F10%3A10057083" target="_blank" >RIV/00216208:11320/10:10057083 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/10:00343455
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
Contact hyperfine field at Fe nuclei from density functional calculations
Original language description
The hyperfine field is an important probe of the magnetism of solids, yet its calculation from the first principles in the compounds of 3d metals proved to be difficult. For iron we circumvent this problem by calculating the spin magnetic moments of the3d electrons and the valence 4s electrons and express the contact hyperfine field as their linear combination. After adding the contributions of the on-site interaction of the nuclear spin with the orbital and spin moment of the 3d electrons, the coefficients of the linear combination are calculated by comparison with the hyperfine field experimentally determined in a number of iron compounds. The method brings the theoretical contact fields within 1 T of the values deduced from experiment.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
—
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B - Condensed Matter and Materials Physics
ISSN
1098-0121
e-ISSN
—
Volume of the periodical
81
Issue of the periodical within the volume
17
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
—
UT code for WoS article
000278141600070
EID of the result in the Scopus database
—