Analysis of the determination of magnetic phase transition temperatures by the first-principles calculations

2002 ◽  
Vol 251 (1) ◽  
pp. 29-37 ◽  
Author(s):  
Xing Gao ◽  
Yu-mei Zhou ◽  
Ding-sheng Wang
Keyword(s):  
Phase Transition ◽  
Magnetic Phase Transition ◽  
First Principles ◽  
Magnetic Phase ◽  
Transition Temperatures ◽  
First Principles Calculations ◽  
Phase Transition Temperatures

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 Correlation between Magnetic Phase Transition Temperatures and Lattice Distortions in L10 FePtRh Thin Films

2015 ◽  
Vol 79 (9) ◽  
pp. 423-428
Author(s):  
Takashi Hasegawa ◽  
Shiori Kimura ◽  
Takunori Abukawa ◽  
Albert A. Valiullin ◽  
Aleksandr S. Kamzin ◽  
...  
Keyword(s):  
Thin Films ◽  
Phase Transition ◽  
Magnetic Phase Transition ◽  
Magnetic Phase ◽  
Transition Temperatures ◽  
Phase Transition Temperatures ◽  
Lattice Distortions
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