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

Electronic Structure and Optical Properties of a Mn-Doped InSe/WSe2 van der Walls Heterostructure: First Principles Calculations

2020 ◽  
Vol 77 (7) ◽  
pp. 587-591
Author(s):  
Rundong Liang ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Weiwei Yue ◽  
Xiaobo Yuan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
Mn Doped

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.

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.

Mn-doped silicon nanowires: First-principles calculations

2008 ◽  
Vol 78 (11) ◽  
Author(s):  
G. Giorgi ◽  
X. Cartoixà ◽  
A. Sgamellotti ◽  
R. Rurali
Keyword(s):  
Silicon Nanowires ◽  
First Principles ◽  
First Principles Calculations ◽  
Doped Silicon ◽  
Mn Doped

First-principles calculations for magnetic properties of Mn-doped GaN nanotubes

2008 ◽  
Vol 372 (15) ◽  
pp. 2688-2691 ◽  
Author(s):  
Yanhua Guo ◽  
Mingxing Chen ◽  
Zhaohui Guo ◽  
Xiaohong Yan
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Mn Doped
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