Magnetism without magnetic impurities in oxides ZrO2 and TiO2.
Result description
We apply the density functional technique to investigate the magnetism induced in transition metal dioxides ZrO2 and TiO2 by substitution of the cation by a vacancy or an impurity from the groups 1A or 2A of the periodic table, where the impurity is either K or Ca. It is demonstrated that the vacancy and the K-impurity leads to a robust induced magnetic moment on the surrounding O-atoms for both the cubic ZrO2 and rutile TiO2 host crystals.
Keywords
The result's identifiers
Result code in IS VaVaI
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Magnetism without magnetic impurities in oxides ZrO2 and TiO2.
Original language description
We apply the density functional technique to investigate the magnetism induced in transition metal dioxides ZrO2 and TiO2 by substitution of the cation by a vacancy or an impurity from the groups 1A or 2A of the periodic table, where the impurity is either K or Ca. It is demonstrated that the vacancy and the K-impurity leads to a robust induced magnetic moment on the surrounding O-atoms for both the cubic ZrO2 and rutile TiO2 host crystals.
Czech name
Magnetismus bez magnetických příměsí v oxidech ZrO2 a TiO2.
Czech description
Metoda funkcionalu hustoty je použita ke studiu magnetismu indukovanemu vakancemi a příměsemi K a Ca v ZrO2 a TiO. Je prokázáno, že příměsové atomy K dávají robusní indukovaný magnetický moment na okolních atomech O jak v ZrO2 tak i v TiO2.
Classification
Type
Jx - 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
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)
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Philosophical Magazine
ISSN
1478-6435
e-ISSN
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Volume of the periodical
88
Issue of the periodical within the volume
18-20
Country of publishing house
CZ - CZECH REPUBLIC
Number of pages
10
Pages from-to
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UT code for WoS article
000261172500017
EID of the result in the Scopus database
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Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
BM - Solid-state physics and magnetism
Year of implementation
2008