Spin and orbital magnetism in full Heusler alloys: A density functional theory study ofCo2YZ(Y=Mn,Fe;Z=Al,Si,Ga,Ge)

2006 ◽  
Vol 74 (22) ◽  
Author(s):  
Mahdi Sargolzaei ◽  
Manuel Richter ◽  
Klaus Koepernik ◽  
Ingo Opahle ◽  
Helmut Eschrig ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Heusler Alloys ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Orbital Magnetism ◽  
Full Heusler ◽  
Full Heusler Alloys

scholarly journals Half-metallicity in new Heusler alloys Mn2ScZ (Z = Si, Ge, Sn)

RSC Advances ◽  
2020 ◽  
Vol 10 (13) ◽  
pp. 7661-7670 ◽  
Author(s):  
Mahesh Ram ◽  
Atul Saxena ◽  
Abeer E. Aly ◽  
Amit Shankar
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Correction Term ◽  
Heusler Alloys ◽  
Half Metallicity ◽  
Functional Theory ◽  
Full Heusler ◽  
Full Heusler Alloys

Study of half-metallicity has been performed in a new series of Mn2ScZ (Z = Si, Ge and Sn) full Heusler alloys using density functional theory with the calculation and implementation of a Hubbard correction term (U).

scholarly journals Exploring half-metallic Co-based full Heusler alloys using a DFT+U method combined with linear response approach

RSC Advances ◽  
2019 ◽  
Vol 9 (52) ◽  
pp. 30462-30478 ◽  
Author(s):  
Kenji Nawa ◽  
Yoshio Miura
Keyword(s):  
Density Functional Theory ◽  
Electronic Structures ◽  
Linear Response ◽  
Density Functional ◽  
Heusler Alloys ◽  
Functional Theory ◽  
Half Metallic ◽  
Full Heusler ◽  
Full Heusler Alloys

A density functional theory (DFT)+U method based on linear response (LR) theory was applied to investigate the electronic structures of Co-based full Heusler alloys of ternary Co2YSi and quaternary Co2(Y,Mn)Si.

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