scholarly journals Magnetic phase transition in half-metallic CoMnSb and NiMnSb semi-Heusler alloys upon Cu doping: First-principles calculations

2008 ◽  
Vol 77 (21) ◽  
Author(s):  
I. Galanakis ◽  
E. Şaşıoğlu ◽  
K. Özdoğan
Keyword(s):  
Phase Transition ◽  
Magnetic Phase Transition ◽  
First Principles ◽  
Magnetic Phase ◽  
Heusler Alloys ◽  
First Principles Calculations ◽  
Cu Doping ◽  
Half Metallic

The magnetic phase transition in Mn2-xFexB alloys: First-principles calculations

2017 ◽  
Vol 55 (6) ◽  
pp. 2249-2253 ◽  
Author(s):  
Po-Han Lee ◽  
Shih-Wei Wang ◽  
Chao-Yang Lin ◽  
Kuan-Ling Chen ◽  
Kuan-Yu Chen ◽  
...  
Keyword(s):  
Phase Transition ◽  
Magnetic Phase Transition ◽  
First Principles ◽  
Magnetic Phase ◽  
First Principles Calculations

scholarly journals Origin of the Giant Negative Thermal Expansion inMn3(Cu0.5Ge0.5)N

2012 ◽  
Vol 2012 ◽  
pp. 1-7 ◽  
Author(s):  
B. Y. Qu ◽  
H. Y. He ◽  
B. C. Pan
Keyword(s):  
Phase Transition ◽  
Thermal Expansion ◽  
Magnetic Phase Transition ◽  
First Principles ◽  
Magnetic Phase ◽  
Lattice Vibration ◽  
Negative Thermal Expansion ◽  
First Principles Calculations ◽  
Temperature Dependent ◽  
Thermal Expansion Property

The giant negative thermal expansion in the Ge-doped antiperovskite Mn3CuN compound is theoretically studied by using the first principles calculations. We propose that such a negative thermal expansion property is essentially attributed to the magnetic phase transition, rather than to the lattice vibration of the Ge-doped compound. Furthermore, we found that the doped Ge atoms in the compound significantly enhance the antiferromagnetic couplings between the nearest neighboring Mn ions, which effectively stabilizes the magnetic ground states. In addition, the nature of the temperature-dependent changes in the volume of the Ge-doped compound was revealed.

scholarly journals Effect of Zn doping on phase transition and electronic structures of Heusler-type Pd2Cr-based alloys: from normal to all-d-metal Heusler

RSC Advances ◽  
2020 ◽  
Vol 10 (30) ◽  
pp. 17829-17835
Author(s):  
Xiaotian Wang ◽  
Mengxin Wu ◽  
Tie Yang ◽  
Rabah Khenata
Keyword(s):  
Phase Transition ◽  
Electronic Structure ◽  
First Principles ◽  
Electronic Structures ◽  
Heusler Alloys ◽  
First Principles Calculations ◽  
Zn Doping

By first-principles calculations, for Heusler alloys Pd2CrZ (Z = Al, Ga, In, Tl, Si, Sn, P, As, Sb, Bi, Se, Te, Zn), the effect of Zn doping on their phase transition and electronic structure has been studied in this work.

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