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volume 11 issue 10 pages 1257

Ab initio Investigation of Impurity Ferromagnetism in the Pd1−xFex Alloys: Concentration and Position Dependences

Publication typeJournal Article
Publication date2021-10-18
scimago Q2
wos Q2
SJR0.486
CiteScore5.0
Impact factor2.4
ISSN20734352, 01725076
Inorganic Chemistry
General Chemical Engineering
Condensed Matter Physics
General Materials Science
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.

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Gumarova I. et al. Ab initio Investigation of Impurity Ferromagnetism in the Pd1−xFex Alloys: Concentration and Position Dependences // Crystals. 2021. Vol. 11. No. 10. p. 1257.
GOST all authors (up to 50) Copy
Gumarova I., Gumarov A. I., Khaibullin R., Tagirov L. Ab initio Investigation of Impurity Ferromagnetism in the Pd1−xFex Alloys: Concentration and Position Dependences // Crystals. 2021. Vol. 11. No. 10. p. 1257.
RIS |
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RIS Copy
TY - JOUR
DO - 10.3390/cryst11101257
UR - https://doi.org/10.3390/cryst11101257
TI - Ab initio Investigation of Impurity Ferromagnetism in the Pd1−xFex Alloys: Concentration and Position Dependences
T2 - Crystals
AU - Gumarova, Irina
AU - Gumarov, A I
AU - Khaibullin, R.I.
AU - Tagirov, L.R.
PY - 2021
DA - 2021/10/18
PB - MDPI
SP - 1257
IS - 10
VL - 11
SN - 2073-4352
SN - 0172-5076
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2021_Gumarova,
author = {Irina Gumarova and A I Gumarov and R.I. Khaibullin and L.R. Tagirov},
title = {Ab initio Investigation of Impurity Ferromagnetism in the Pd1−xFex Alloys: Concentration and Position Dependences},
journal = {Crystals},
year = {2021},
volume = {11},
publisher = {MDPI},
month = {oct},
url = {https://doi.org/10.3390/cryst11101257},
number = {10},
pages = {1257},
doi = {10.3390/cryst11101257}
}
MLA
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MLA Copy
Gumarova, Irina, et al. “Ab initio Investigation of Impurity Ferromagnetism in the Pd1−xFex Alloys: Concentration and Position Dependences.” Crystals, vol. 11, no. 10, Oct. 2021, p. 1257. https://doi.org/10.3390/cryst11101257.