KFU. Card publication. Ab initio investigation of impurity ferromagnetism in the pd1?xfex alloys: Concentration and position dependences

KAZAN
FEDERAL UNIVERSITY

- RUS
- 中文
- ES

AB INITIO INVESTIGATION OF IMPURITY FERROMAGNETISM IN THE PD1?XFEX ALLOYS: CONCENTRATION AND POSITION DEPENDENCES

Form of presentation

Articles in international journals and collections

Year of publication

2021

��

��

Authors, employees of KFU

Gumarov Amir Ildusovich, author

Gumarova Irina Ivanovna, author

Tagirov Lenar Rafgatovich, author

Other authors

Khaybullin Rustam Ildusovich, author

Bibliographic description in the original language

Piyanzina I, Gumarov A, Khaibullin R, Tagirov L, Ab initio investigation of impurity ferromagnetism in the Pd1-xFex alloys: Concentration and position dependences//Crystals. - 2021. - Vol.11, Is.10. - Art. �1257.

Annotation

We present the results of ab initio studies of the structural and magnetic properties of the Pd host matrix doped by Fe atoms at various concentrations. By means of the density functional theory, we deduce that iron impurities are able to initialize significant magnetization of the Pd atoms, when the impurity concentration exceeds 3 at.%. We also demonstrate that the induced magnetization depends on impurity positions in the host matrix, in particular, there is a maximum of magnetization for a uniform distribution of the iron solute.

Keywords

Pd-Fe alloy, impurity ferromagnetism, DFT

The name of the journal

Crystals

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85118260594&doi=10.3390%2fcryst11101257&partnerID=40&md5=2aa92cf65959455e1e0c9710d094df8d

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=260008&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Gumarov Amir Ildusovich	ru_RU
dc.contributor.author	Gumarova Irina Ivanovna	ru_RU
dc.contributor.author	Tagirov Lenar Rafgatovich	ru_RU
dc.contributor.author	Khaybullin Rustam Ildusovich	ru_RU
dc.date.accessioned	2021-01-01T00:00:00Z	ru_RU
dc.date.available	2021-01-01T00:00:00Z	ru_RU
dc.date.issued	2021	ru_RU
dc.identifier.citation	Piyanzina I, Gumarov A, Khaibullin R, Tagirov L, Ab initio investigation of impurity ferromagnetism in the Pd1-xFex alloys: Concentration and position dependences//Crystals. - 2021. - Vol.11, Is.10. - Art. �1257.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=260008&p_lang=2	ru_RU
dc.description.abstract	Crystals	ru_RU
dc.description.abstract	We present the results of ab initio studies of the structural and magnetic properties of the Pd host matrix doped by Fe atoms at various concentrations. By means of the density functional theory, we deduce that iron impurities are able to initialize significant magnetization of the Pd atoms, when the impurity concentration exceeds 3 at.%. We also demonstrate that the induced magnetization depends on impurity positions in the host matrix, in particular, there is a maximum of magnetization for a uniform distribution of the iron solute.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Pd-Fe alloy	ru_RU
dc.subject	impurity ferromagnetism	ru_RU
dc.subject	DFT	ru_RU
dc.title	Ab initio investigation of impurity ferromagnetism in the pd1?xfex alloys: Concentration and position dependences	ru_RU
dc.type	Articles in international journals and collections	ru_RU