scholarly journals First-principles calculations of magnetic interactions in correlated systems

2000 ◽  
Vol 61 (13) ◽  
pp. 8906-8912 ◽  
Author(s):  
M. I. Katsnelson ◽  
A. I. Lichtenstein
Keyword(s):  
First Principles ◽  
Magnetic Interactions ◽  
First Principles Calculations ◽  
Correlated Systems

Unusual interfacial magnetic interactions for τ-MnAl with Fe(Co) atomic layers

2019 ◽  
Vol 21 (5) ◽  
pp. 2443-2452 ◽  
Author(s):  
Junwei Tong ◽  
Yuxuan Feng ◽  
Fubo Tian ◽  
Lianqun Zhou ◽  
Gaowu Qin ◽  
...  
Keyword(s):  
First Principles ◽  
Magnetic Interaction ◽  
Magnetic Interactions ◽  
Coupling Mechanism ◽  
First Principles Calculations

The interfacial magnetic interaction and coupling mechanism for τ-MnAl with Fe(Co) atomic layers have been studied using first principles calculations.

Studies of magnetic interactions in Mn-doped β-Ga2O3 from first-principles calculations

2008 ◽  
Vol 58 (11) ◽  
pp. 943-946 ◽  
Author(s):  
Guangqing Pei ◽  
Changtai Xia ◽  
Yongjun Dong ◽  
Bo Wu ◽  
Tao Wang ◽  
...  
Keyword(s):  
First Principles ◽  
Magnetic Interactions ◽  
First Principles Calculations ◽  
Mn Doped

scholarly journals Magnetically driven short-range order can explain anomalous measurements in CrCoNi

2021 ◽  
Vol 118 (13) ◽  
pp. e2020540118
Author(s):  
Flynn Walsh ◽  
Mark Asta ◽  
Robert O. Ritchie
Keyword(s):  
First Principles ◽  
Short Range ◽  
Short Range Order ◽  
Nearest Neighbor ◽  
Range Order ◽  
Magnetic Interactions ◽  
First Principles Calculations ◽  
Principal Element ◽  
The Impact ◽  
Magnetically Aligned

The presence, nature, and impact of chemical short-range order in the multi-principal element alloy CrCoNi are all topics of current interest and debate. First-principles calculations reveal that its origins are fundamentally magnetic, involving repulsion between like-spin Co–Cr and Cr–Cr pairs that is complemented by the formation of a magnetically aligned sublattice of second-nearest-neighbor Cr atoms. Ordering models following these principles are found to predict otherwise anomalous experimental measurements concerning both magnetization and atomic volumes across a range of compositions. In addition to demonstrating the impact of magnetic interactions and resulting chemical rearrangement, the possible explanation of experiments would imply that short-range order of this type is far more prevalent than previously realized.

Electronic structure and magnetic interactions in Ni-doped β-Ga2O3 from first-principles calculations

2009 ◽  
Vol 61 (5) ◽  
pp. 477-480 ◽  
Author(s):  
Wen-Zhi Xiao ◽  
Ling-Ling Wang ◽  
Liang Xu ◽  
Qing Wan ◽  
B.S. Zou
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Magnetic Interactions ◽  
First Principles Calculations

Studies of magnetic interactions in Ni-doped ZnO from first-principles calculations

2008 ◽  
Vol 43 (3) ◽  
pp. 489-494 ◽  
Author(s):  
Guangqing Pei ◽  
Changtai Xia ◽  
Bo Wu ◽  
Tao Wang ◽  
Lili Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
Magnetic Interactions ◽  
First Principles Calculations ◽  
Doped Zno
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