scholarly journals Finite-temperature magnetic properties of Sm2Fe17Nx using an ab initio effective spin model

2020 ◽  
Vol 102 (21) ◽  
Author(s):  
Shogo Yamashita ◽  
Daiki Suzuki ◽  
Takuya Yoshioka ◽  
Hiroki Tsuchiura ◽  
Pavel Novák
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Finite Temperature ◽  
Spin Model ◽  
Effective Spin

scholarly journals Relevance of 4f-3d exchange to finite-temperature magnetism of rare-earth permanent magnets: An ab-initio-based spin model approach for NdFe12N

2016 ◽  
Vol 119 (21) ◽  
pp. 213901 ◽  
Author(s):  
Munehisa Matsumoto ◽  
Hisazumi Akai ◽  
Yosuke Harashima ◽  
Shotaro Doi ◽  
Takashi Miyake
Keyword(s):  
Rare Earth ◽  
Ab Initio ◽  
Finite Temperature ◽  
Permanent Magnets ◽  
Spin Model ◽  
Model Approach

Ab-initio modeling of Fe-Mn based alloys and nanoclusters

2011 ◽  
Vol 1296 ◽  
Author(s):  
Peter Entel ◽  
Denis Comtesse ◽  
Heike C. Herper ◽  
Markus E. Gruner ◽  
Mario Siewert ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Finite Temperature ◽  
Large Scale ◽  
Exchange Interactions ◽  
The Novel ◽  
Magnetic Exchange ◽  
Simulation Tools ◽  
Transition Metal Alloys ◽  
Structural And Magnetic Properties

ABSTRACTNew methods in steel design and basic understanding of the novel materials require large scale ab initio calculations of ground state and finite temperature properties of transition metal alloys. In this contribution we present ab initio modeling of the structural and magnetic properties of XYZ compounds and alloys where X, Y = Mn, Fe, Co Ni and Z = C, Si with emphasis on the Fe-Mn steels. The optimization of structural and magnetic properties is performed by using different simulation tools. In particular, the finite-temperature magnetic properties are simulated using a Heisenberg model with magnetic exchange interactions from first-principles calculations. Part of the calculations are extended to the nanoparticle range showing how ferromagnetic and antiferromagnetic trends influence the nucleation, morphologies and growth of Fe-Mn-based nanoparticles.

An effective spin model for the finite temperature twisted Eguchi-Kawai model

1984 ◽  
Vol 143 (1-3) ◽  
pp. 207-209 ◽  
Author(s):  
Andreas Gocksch ◽  
Filippo Neri ◽  
Pietro Rossi
Keyword(s):  
Finite Temperature ◽  
Spin Model ◽  
Effective Spin

Structural, thermodynamic, electronic, and magnetic properties of superconducting FeSe-CsCl type: Ab initio searching technique with van der Waals corrections

2021 ◽  
pp. 124708
Author(s):  
Prayoonsak Pluengphon ◽  
Prutthipong Tsuppayakorn-aek ◽  
Burapat Inceesungvorn ◽  
Udomsilp Pinsook ◽  
Thiti Bovornratanaraks
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Van Der Waals ◽  
Electronic And Magnetic Properties ◽  
Cscl Type ◽  
Type Ab

Ab initio study of magnetic properties of Fe1−xGax alloys

2017 ◽  
Author(s):  
M. Matyunina ◽  
V. Sokolovskiy ◽  
M.A. Zagrebin ◽  
V. Buchelnikov
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Ab Initio Study
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