Electronic structure, stability and magnetic properties of small M1–2Cr (M = Fe, Co, and Ni) alloy encapsulated inside a (BN)48 cage

2015 ◽  
Vol 379 (30-31) ◽  
pp. 1715-1721 ◽  
Author(s):  
Wenjuan Liang ◽  
Jianfeng Jia ◽  
Jin Lv ◽  
Haishun Wu
2012 ◽  
Vol 14 (5) ◽  
Author(s):  
Kalavathy Santhi ◽  
E. Thirumal ◽  
S. N. Karthick ◽  
Hee-Je Kim ◽  
Marimuthu Nidhin ◽  
...  

2021 ◽  
Vol 23 (10) ◽  
pp. 6171-6181
Author(s):  
Yaoqi Gao ◽  
Baozeng Zhou ◽  
Xiaocha Wang

It is found that the biaxial strain, electric field and interlayer distance can effectively modulate the electronic structure and magnetic properties of two-dimensional van der Waals heterostructures.


1995 ◽  
Vol 384 ◽  
Author(s):  
Zhi-Qiang Li ◽  
Yuichi Hashi ◽  
Jing-Zhi Yu ◽  
Kaoru Ohno ◽  
Yoshiyuki Kawazoe

ABSTRACTThe electronic structure and magnetic properties of rhodium clusters with sizes of 1 - 43 atoms embedded in the nickel host are studied by the first-principles spin-polarized calculations within the local density functional formalism. Single Rh atom in Ni matrix is found to have magnetic moment of 0.45μB. Rh13 and Rhl 9 clusters in Ni matrix have lower magnetic moments compared with the free ones. The most interesting finding is tha.t Rh43 cluster, which is bulk-like nonmagnetic in vacuum, becomes ferromagnetic when embedded in the nickel host.


2005 ◽  
Vol 367 (1-4) ◽  
pp. 61-71 ◽  
Author(s):  
Y. Yang ◽  
C. Jing ◽  
J.G. Yang ◽  
S.X. Cao ◽  
J.C. Zhang

2001 ◽  
Vol 63 (12) ◽  
Author(s):  
A. Ślebarski ◽  
E. D. Bauer ◽  
Shi Li ◽  
M. B. Maple ◽  
A. Jezierski

2008 ◽  
Vol 41 (11) ◽  
pp. 115004 ◽  
Author(s):  
Xingtao Jia ◽  
Wei Yang ◽  
Hong Li ◽  
Minghui Qin

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