Predictions of a Large Magnetocaloric Effect in Co- and Cr-Substituted Heusler Alloys Using First-Principles and Monte Carlo Approaches

被引：3

作者：

Sokolovskiy, Vladimir V. ^{[1
]}

Buchelnikov, Vasiliy D. ^{[1
]}

Zagrebin, Mikhail A. ^{[1
]}

Grunebohm, Anna ^{[2
]}

Entel, Peter ^{[2
]}

机构：

[1] Chelyabinsk State Univ, Chelyabinsk, Russia

[2] Univ Duisburg Essen, Duisburg, Germany

来源：

20TH INTERNATIONAL CONFERENCE ON MAGNETISM, ICM 2015 | 2015年 / 75卷

基金：

俄罗斯科学基金会;

关键词：

Heusler alloys; magnetocaloric effect; ab initio and Monte Carlo methods; GA; SN;

D O I：

10.1016/j.phpro.2015.12.155

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The effect of Co- and Cr-doping on magnetic and magnetocaloric poperties of Ni-Mn-(In, Ga, Sn, and Al) Heusler alloys has been theoretically studied by combining first principles with Monte Carlo approaches. The magnetic and magnetocaloric properties are obtained as a function of temperature and magnetic field using a mixed type of Potts and Blume-Emery-Griffiths model where the model parameters are obtained from ab initio calculations. The Monte Carlo calculations allowed to make predictions of a giant inverse magnetocaloric effect in partially new hypothetical magnetic Heusler alloys across the martensitic transformation.

引用

页码：1381 / 1388

页数：8

共 33 条

[11] Magnetic properties and martensitic transformation of Ni-Mn-Ge Heusler alloys from first-principles and Monte Carlo studies
Sokolovskiy, V. V.
Zagrebin, M. A.
Buchelnikov, V. D.
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2017, 50 (19)
[12] Electronic and magnetic properties of the Co2-based Heusler compounds under pressure: first-principles and Monte Carlo studies
Zagrebin, M. A.
Sokolovskiy, V. V.
Buchelnikov, V. D.
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2016, 49 (35)
[13] Predictions on structural, electronic, magnetic and thermal properties of new Heusler alloys Cr2NbSi1-xGex from first-principles calculations
Asfour, I.
PRAMANA-JOURNAL OF PHYSICS, 2020, 94 (01):
[14] First-principles investigation on the novel half-Heusler VXTe (X=Cr, Mn, Fe, and Co) alloys for spintronic and thermoelectric applications
Sattar, Muhammad Atif
Javed, Mehreen
Al Bouzieh, Najwa
Benkraouda, Maamar
Amrane, Noureddine
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2023, 155
[15] First-Principles Calculations of Magnetic Properties of Cr-Doped Ni45Co5Mn37In13 Heusler Alloys
Sokolovskiy, Vladimir V.
Buchelnikov, Vasiliy D.
Gruner, Markus E.
Entel, Peter
IEEE TRANSACTIONS ON MAGNETICS, 2015, 51 (11)
[16] Volume dependence of magnetic properties in Co2Cr1-xYxGa (Y= Ti-Ni) Heusler alloys: A first-principles study
Goncalves, J. N.
Fortunato, N. M.
Amaral, J. S.
Amaral, V. S.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2017, 428 : 362 - 367
[17] First-principles calculations of magnetic properties of Cr-doped Ni45Co5Mn37In13 Heusler alloys.
Sokolovskiy, V. V.
Buchelnikov, V. D.
Gruner, M.
Entel, P.
2015 IEEE MAGNETICS CONFERENCE (INTERMAG), 2015,
[18] Giant magnetocaloric effect driven by first-order magnetostructural transition in cosubstituted Ni-Mn-Sb Heusler compounds: Predictions from ab initio and Monte Carlo calculations
Ghosh, Sheuly
Ghosh, Subhradip
PHYSICAL REVIEW B, 2021, 103 (05)
[19] First-principles calculations of magnetism and half-metallic properties of CsYO2 (Y = V, Cr, Mn, Fe, Co, Ni) Heusler alloys
Fan, Li
Chen, Feng
Chen, Zhi-Qian
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2019, 478 : 264 - 273
[20] Prediction of giant magnetocaloric effect in Ni40Co10Mn36Al14 Heusler alloys: An insight from ab initio and Monte Carlo calculations
Sokolovskiy, V.
Miroshkina, O.
Zagrebin, M.
Buchelnikov, V.
JOURNAL OF APPLIED PHYSICS, 2020, 127 (16)

← 1 2 3 4 →