scholarly journals First-Principles Dynamical Coherent-Potential Approximation Approach to the Ferromagnetism of Fe, Co, and Ni

2011 ◽  
Vol 80 (3) ◽  
pp. 034706 ◽  
Author(s):  
Yoshiro Kakehashi ◽  
M. Atiqur R. Patoary
Keyword(s):  
First Principles ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Approximation Approach

scholarly journals Giant Magnetoresistance Calculated from First Principles

1993 ◽  
Vol 313 ◽  
Author(s):  
W. H. Butler ◽  
James M. MacLaren ◽  
X.-G. Zhang
Keyword(s):  
Low Temperature ◽  
First Principles ◽  
Giant Magnetoresistance ◽  
Coherent Potential Approximation ◽  
Orbit Coupling ◽  
Approximation Technique ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Potential Approximation ◽  
Magnetoresis Tance

ABSTRACTThe Layer Korringa Kohn Rostoker-Coherent Potential Approximation technique was used to calculate the low temperature Giant Magnetoresistance from first principles for Co|Cu and permalloy|Cu superlattices. Our calculations predict large giant Magnetoresis-tance ratios for Co|Cu and extremely large ratios for permalloy|Cu for current perpendicular to the layers. Mechanisms such as spin-orbit coupling which mix spin channels are expected to greatly reduce the GMR effect for permalloy|Cu.

scholarly journals Mechanical properties of CrFeCoNiCux (0 ≤ x ≤ 0.3) HEAs from first-principles calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (68) ◽  
pp. 41324-41331
Author(s):  
Yu Liu ◽  
Zhipeng Wang ◽  
Hui Xiao ◽  
Gang Chen ◽  
Touwen Fan ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Coherent Potential Approximation ◽  
Approximation Methods ◽  
First Principles Calculations ◽  
Potential Approximation ◽  
Cu Content

Frist-principles calculations combined with exact muffin-tin orbitals and coherent potential approximation methods is conducted to investigate the effects of Cu content on mechanical properties of CrFeCoNiCux (0 ≤ x ≤ 0.3) HEAs.

Density of States of Co- and Cr-Doped Ni2.0Mn1.5Sn0.5 Heusler Alloys

2016 ◽  
Vol 845 ◽  
pp. 162-165
Author(s):  
Mikhail A. Zagrebin ◽  
Vladimir V. Sokolovskiy ◽  
Vasiliy D. Buchelnikov ◽  
Marina A. Klyuchnikova
Keyword(s):  
Spin Polarization ◽  
Density Of States ◽  
Magnetic Moment ◽  
First Principles ◽  
Heusler Alloys ◽  
Coherent Potential Approximation ◽  
First Principles Calculations ◽  
Potential Approximation ◽  
Co Concentration ◽  
Co Concentrations

The composition dependences of the density of states in Co- and Cr-doped Ni-Mn-Sn Heusler alloys are investigated by using first principles calculations. The off-stoichiometric compositions are realized by the coherent-potential approximation. We have shown that the spin polarization decreases with increasing Cr and Co concentrations. While, the total magnetic moment was found to decrease (increase) with increasing Cr (Co) concentration, respectively.

Ternary Diagrams of Ni-Mn-Ga from First Principles

2016 ◽  
Vol 845 ◽  
pp. 130-133 ◽  
Author(s):  
Vladimir V. Sokolovskiy ◽  
Yuliya A. Sokolovskaya ◽  
Mikhail A. Zagrebin ◽  
Vasiliy D. Buchelnikov ◽  
Alexey T. Zayak
Keyword(s):  
Ab Initio Calculations ◽  
Bulk Modulus ◽  
Ab Initio ◽  
Elastic Properties ◽  
First Principles ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Lattice Constants ◽  
Ternary Diagrams ◽  
Formation Energies

The composition dependences of the magnetic and elastic properties of Ni-Mn-Ga Heusleralloys are investigated by using ab initio calculations. The off-stoichiometric compositions are real-ized by the coherent-potential approximation. Two types of off-stoichiometric approaches are pro-posed. Through a series of researches, the equilibrium lattice constants, bulk modulus, magnetic mo-ments, formation energies of Ni-Mn-Ga alloys are obtained and mapped onto ternary diagrams.

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