Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study

Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study

In this work, we report results of ab initio and Monte Carlo investigations of structural and magnetic properties in a series of Heusler compositions Pd2MnZ (Z = Ga, Ge, As). It was found that for Pd2MnGa and Pd2MnAs, the stable martensitic state is realized on the contrast with Pd2MnGe. The equilib...

Full description

Bibliographic Details
Main Authors: Miroshkina Olga, Zagrebin Mikhail, Sokolovskiy Vladimir, Buchelnikov Vasiliy
Format: Article
Language:English
Published: EDP Sciences 2018-01-01
Series:EPJ Web of Conferences
Online Access:https://doi.org/10.1051/epjconf/201818505007
id doaj-c94d7de324b641adbbf3867176149d36
record_format Article
spelling doaj-c94d7de324b641adbbf3867176149d362021-08-02T12:19:15ZengEDP SciencesEPJ Web of Conferences2100-014X2018-01-011850500710.1051/epjconf/201818505007epjconf_mism2017_05007Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO studyMiroshkina OlgaZagrebin MikhailSokolovskiy VladimirBuchelnikov VasiliyIn this work, we report results of ab initio and Monte Carlo investigations of structural and magnetic properties in a series of Heusler compositions Pd2MnZ (Z = Ga, Ge, As). It was found that for Pd2MnGa and Pd2MnAs, the stable martensitic state is realized on the contrast with Pd2MnGe. The equilibrium lattice parameters for the series of Pd2MnZ (Z = Ga, Ge, As) compounds increase with increasing the number of valence electrons per atom (e/a ratio). Having calculated total magnetic moments and magnetic exchange parameters from ab initio methods, the Curie temperature for Pd2Mn-based alloys has been estimated in the framework of Monte Carlo simulations of Heisenberg model.https://doi.org/10.1051/epjconf/201818505007
collection DOAJ
language English
format Article
sources DOAJ
author Miroshkina Olga
Zagrebin Mikhail
Sokolovskiy Vladimir
Buchelnikov Vasiliy
spellingShingle Miroshkina Olga
Zagrebin Mikhail
Sokolovskiy Vladimir
Buchelnikov Vasiliy
Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study
EPJ Web of Conferences
author_facet Miroshkina Olga
Zagrebin Mikhail
Sokolovskiy Vladimir
Buchelnikov Vasiliy
author_sort Miroshkina Olga
title Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study
title_short Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study
title_full Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study
title_fullStr Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study
title_full_unstemmed Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study
title_sort structural and magnetic properties of heusler alloys pd2mnz (z=ga, ge, as): ab initio study
publisher EDP Sciences
series EPJ Web of Conferences
issn 2100-014X
publishDate 2018-01-01
description In this work, we report results of ab initio and Monte Carlo investigations of structural and magnetic properties in a series of Heusler compositions Pd2MnZ (Z = Ga, Ge, As). It was found that for Pd2MnGa and Pd2MnAs, the stable martensitic state is realized on the contrast with Pd2MnGe. The equilibrium lattice parameters for the series of Pd2MnZ (Z = Ga, Ge, As) compounds increase with increasing the number of valence electrons per atom (e/a ratio). Having calculated total magnetic moments and magnetic exchange parameters from ab initio methods, the Curie temperature for Pd2Mn-based alloys has been estimated in the framework of Monte Carlo simulations of Heisenberg model.
url https://doi.org/10.1051/epjconf/201818505007
work_keys_str_mv AT miroshkinaolga structuralandmagneticpropertiesofheusleralloyspd2mnzzgageasabinitiostudy
AT zagrebinmikhail structuralandmagneticpropertiesofheusleralloyspd2mnzzgageasabinitiostudy
AT sokolovskiyvladimir structuralandmagneticpropertiesofheusleralloyspd2mnzzgageasabinitiostudy
AT buchelnikovvasiliy structuralandmagneticpropertiesofheusleralloyspd2mnzzgageasabinitiostudy
_version_ 1721232682026795008

Similar Items