scholarly journals Ab Initio and Monte Carlo Approaches For the Magnetocaloric Effect in Co- and In-Doped Ni-Mn-Ga Heusler Alloys

Entropy ◽  
2014 ◽  
Vol 16 (9) ◽  
pp. 4992-5019 ◽  
Author(s):  
Vladimir Sokolovskiy ◽  
Anna Grünebohm ◽  
Vasiliy Buchelnikov ◽  
Peter Entel
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Magnetocaloric Effect ◽  
Heusler Alloys

Ternary diagrams of magnetic properties of Ni-Mn-Ga Heusler alloys from ab initio and Monte Carlo studies

2019 ◽  
Vol 470 ◽  
pp. 64-68 ◽  
Author(s):  
Vladimir V. Sokolovskiy ◽  
Yulia A. Sokolovskaya ◽  
Mikhail A. Zagrebin ◽  
Vasiliy D. Buchelnikov ◽  
Alexey T. Zayak
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
Ab Initio ◽  
Heusler Alloys ◽  
Ternary Diagrams ◽  
Monte Carlo Studies

Ab initio, theoretical and Monte Carlo approaches for the magnetocaloric effect in DyNi4Si

2016 ◽  
Vol 412 ◽  
pp. 259-265 ◽  
Author(s):  
Ayoub Laghrissi ◽  
El Mehdi Salmani ◽  
Hamid Ez-Zahraouy ◽  
Abdelilah Benyoussef
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Magnetocaloric Effect

Monte Carlo simulations of the magnetocaloric effect in magnetic Ni–Mn–X(X= Ga, In) Heusler alloys

2011 ◽  
Vol 44 (6) ◽  
pp. 064012 ◽  
Author(s):  
V D Buchelnikov ◽  
V V Sokolovskiy ◽  
S V Taskaev ◽  
V V Khovaylo ◽  
A A Aliev ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Magnetocaloric Effect ◽  
Heusler Alloys

Exchange interactions and magnetocaloric effects of the Heusler alloys Ni–Mn–In–R (R = Fe, Co)

2018 ◽  
Vol 32 (14) ◽  
pp. 1850146 ◽  
Author(s):  
Yan-Ru Li ◽  
Hui-Ling Su ◽  
Ji-Bing Sun ◽  
Ying Li
Keyword(s):  
Monte Carlo ◽  
Transition Temperature ◽  
Ab Initio ◽  
Magnetic Entropy Change ◽  
Magnetic Transition ◽  
Heusler Alloys ◽  
Entropy Change ◽  
Magnetic Interactions ◽  
Magnetic Entropy ◽  
Magnetic Transition Temperature

The magnetic interactions and magnetocaloric effects in Ni2Mn[Formula: see text]In[Formula: see text]R[Formula: see text] (x = 0–0.2) (R = Fe, Co) Heusler alloys are investigated by the first-principles and Monte Carlo method. The ab initio calculations provide a basic understanding of the competition of ferromagnetic and antiferromagnetic interactions due to the chemical disorder of the alloy compositions. The thermodynamic properties including magnetization, specific heat and magnetic entropy change are calculated by the finite-temperature Monte Carlo simulations using the exchange couplings and magnetic moments from ab initio calculation as input parameters. The results show that the Fe or Co doping in Ni2Mn[Formula: see text]In[Formula: see text] leads to an increase of magnetic moment and magnetic entropy change but a decrease of magnetic transition temperature with the increase in the Fe or Co contents. This indicates that the transition temperature and magnetocaloric properties of Ni2Mn[Formula: see text]In[Formula: see text] alloy can be tuned by substituting In atom by Fe or Co with different contents.

Interaction of phase transformation and magneto- and elastocaloric properties of Heusler alloys

2013 ◽  
Vol 1581 ◽  
Author(s):  
Peter Entel ◽  
Vladimir V. Sokolovskiy ◽  
Vasiliy D. Buchelnikov ◽  
Denis Comtesse ◽  
Mehmet Acet
Keyword(s):  
Monte Carlo ◽  
Shape Memory ◽  
Ab Initio ◽  
Heusler Alloys ◽  
Magnetic Ordering ◽  
Magnetic Behavior ◽  
Experimental Investigations ◽  
Driving Mechanism ◽  
Magnetic Shape Memory ◽  
Magnetic Exchange

ABSTRACTThe structural, electronic and magnetic properties of functional Ni-Mn-(Ga, In, Sn) and Pt-Ni-(Ga, Sn) alloys are studied by first-principles and Monte Carlo tools. The ab initio calculations give a basic understanding of the underlying physics which is associated with the complex magnetic behavior arising from the competition of ferro- and antiferromagnetic interactions for excess Mn atoms in the unit cell. We show that the resulting complex magnetic ordering is the driving mechanism of structural transformations and multifunctional properties of Heusler alloys associated with magnetic shape-memory, magnetocaloric and elastocaloric effects. The thermodynamic properties can be calculated by using the ab initio magnetic exchange parameters in finite-temperature Monte Carlo simulations. Entropy and specific heat changes associated with the magnetic changes and emergence of microstructure across the magnetostructural transition are pointed out. We show how to optimize the functional properties by tuning the compositional changes, for example, a magnetic shape-memory effect of more than 14% can be achieved in Pt-Ni-Mn-Ga alloys. The theoretical studies are accompanied by experimental investigations.

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