Crystal field parameters with Wannier functions: application to Nd2Fe14B systems
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F15%3A00451637" target="_blank" >RIV/68378271:_____/15:00451637 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1179/1432891715Z.0000000001416" target="_blank" >http://dx.doi.org/10.1179/1432891715Z.0000000001416</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1179/1432891715Z.0000000001416" target="_blank" >10.1179/1432891715Z.0000000001416</a>
Alternative languages
Result language
angličtina
Original language name
Crystal field parameters with Wannier functions: application to Nd2Fe14B systems
Original language description
A new method to calculate the crystal field parameters (CFPs) is first applied to crystalline Nd2Fe14B as the representative of rare-earth iron boron permanent magnets. The CFPs are extracted from the one electron Hamiltonian expressed in the basis of Wannier functions. The low energy properties of 4f orbitals and influence of hybridization with Fe(3d) orbitals are investigated by solving the eigenvalue problems. Authors have found the fundamental property; the more the 4f electron cloud is expanded tothe a?b plane, the more the single-ion anisotropy along the c-axis increases.
Czech name
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Czech description
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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
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Materials Research Innovations
ISSN
1432-8917
e-ISSN
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Volume of the periodical
19
Issue of the periodical within the volume
Sup.3
Country of publishing house
GB - UNITED KINGDOM
Number of pages
5
Pages from-to
"S4"-"S8"
UT code for WoS article
000355260100002
EID of the result in the Scopus database
2-s2.0-84941356022