Comparisons of half-metallic results of Al0·75Co0·25Sb diluted magnetic semiconductor with generalized gradient approximation (GGA) and Tran Blaha modified Becke-Johnson (TB_mBJ) potential methods

2020 ◽  
Vol 581 ◽  
pp. 411841 ◽  
Author(s):  
Evren G. Özdemir ◽  
Ziya Merdan
2008 ◽  
Vol 103 (7) ◽  
pp. 07D115 ◽  
Author(s):  
Benjamin Balke ◽  
Kristian Kroth ◽  
Gerhard H. Fecher ◽  
Claudia Felser

2014 ◽  
Vol 28 (14) ◽  
pp. 1450111 ◽  
Author(s):  
L. Hua ◽  
Q. L. Zhu

In this paper, we have investigated the electronic structure and magnetic properties of K and Mn co-doped BaCd 2 As 2 using density functional theory within the generalized gradient approximation ( GGA ) + U schemes. Calculations show that the ground state magnetic structure of Mn -doped BaCd 2 As 2 is antiferromagnetic while K and Mn co-doped BaCd 2 As 2 is ferromagnetic. Electronic structures indicate that the superexchange mechanism leads to the antiferromagnetic coupling between Mn atoms in Mn -doped BaCd 2 As 2 while the hole-mediated Zener's p–d exchange mechanism leads to the ferromagnetic coupling between Mn atoms in K and Mn co-doped BaCd 2 As 2.


2018 ◽  
Vol 10 (5) ◽  
pp. 05005-1-05005-5
Author(s):  
I. D. Stolyarchuk ◽  
◽  
I. Rogalska ◽  
S. V. Koretskii ◽  
I. Stefaniuk ◽  
...  

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