Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy

Gruszka, Konrad; Nabialek, Marcin; Szota, Michal

Konrad Gruszka, Marcin Nabialek, Michal Szota

Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy

Abstract:

The paper presents results of theoretical investigations on the structural, magnetic and electronic properties of Fe2-xMnGe:Cux Heusler alloy focusing on the role of iron-copper substitution effects on selected parameters. The calculations were performed on the basis of the density functional theory approach using the plane-wave basis set. The substitution of [Ar]4s1 3d10 copper in place of [Ar]4s2 3d6 iron site was investigated.Among the many interesting properties exhibited by those alloys such as shape memory effect, half-metallicity, magnetoresistance etc. they also demonstrate significant sensitivity to various doping affecting their magnetic characteristics such as magnetic ordering or total magnetic moment, often demonstrating the Slater-Pauling behavior. The Cu substitution caused break of half-metallic character at the same time resulted in increase of magnetization.

Keywords:
Density functional theory; Heusler alloys; magnetic properties; electronic properties; ab initio

Issue: 2017, Volume 68, Issue 3

Pages: 487-489

Publication date: 2017/4/15

https://doi.org/10.37358/RC.17.3.5484

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Citation Styles

Cite this article as:
GRUSZKA, K., NABIALEK, M., SZOTA, M., Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy, Rev. Chim., 68(3), 2017, 487-489.

Vancouver
Gruszka K, Nabialek M, Szota M. Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy. Rev. Chim.[internet]. 2017 Mar;68(3):487-489. Available from: https://doi.org/10.37358/RC.17.3.5484

APA 6th edition
Gruszka, K., Nabialek, M. & Szota, M. (2017). Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy. Revista de Chimie, 68(3), 487-489. https://doi.org/10.37358/RC.17.3.5484

Harvard
Gruszka, K., Nabialek, M., Szota, M. (2017). 'Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy', Revista de Chimie, 68(3), pp. 487-489. https://doi.org/10.37358/RC.17.3.5484

IEEE
K. Gruszka, M. Nabialek, M. Szota, "Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy". Revista de Chimie, vol. 68, no. 3, pp. 487-489, 2017. [online]. https://doi.org/10.37358/RC.17.3.5484

Text
Konrad Gruszka, Marcin Nabialek, Michal Szota,
Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy,
Revista de Chimie,
Volume 68, Issue 3,
2017,
Pages 487-489,
ISSN 2668-8212,
https://doi.org/10.37358/RC.17.3.5484.
(https://revistadechimie.ro/Articles.asp?ID=5484)
Keywords: Density functional theory; Heusler alloys; magnetic properties; electronic properties; ab initio

RIS
TY - JOUR
T1 - Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy
A1 - Gruszka, Konrad
A2 - Nabialek, Marcin
A3 - Szota, Michal
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2017
VL - 68
IS - 3
SP - 487
EP - 489
UR - https://doi.org/10.37358/RC.17.3.5484
KW - Density functional theory
KW - Heusler alloys
KW - magnetic properties
KW - electronic properties
KW - ab initio
ER -

BibTex
@article{RevCh2017P487,
author = {Gruszka Konrad and Nabialek Marcin and Szota Michal},
title = {Theoretical Investigations of the Structural, Magnetic and Electronic Properties of F2-xMnGe:Cux Alloy},
journal = {Revista de Chimie},
volume = {68},
number = {3},
pages = {487-489},
year = {2017},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.17.3.5484},
url = {https://revistadechimie.ro/Articles.asp?ID=5484}
}

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