Effective exchange interactions in CuAlO2-based dilute magnetic semiconductors by first-principles calculations

2007 ◽  
Vol 401-402 ◽  
pp. 462-464 ◽  
Author(s):  
H. Kizaki ◽  
K. Sato ◽  
H. Katayama-Yoshida
Keyword(s):  
First Principles ◽  
Magnetic Semiconductors ◽  
Dilute Magnetic Semiconductors ◽  
Exchange Interactions ◽  
First Principles Calculations ◽  
Effective Exchange

First-principles calculations of electronic, magnetic and optical properties of HoN doped with TM (Ti, V, Cr, Mn, Co and Ni)

2018 ◽  
Vol 32 (05) ◽  
pp. 1850048
Author(s):  
M. Rouchdi ◽  
E. Salmani ◽  
M. Dehmani ◽  
H. Ez-Zahraouy ◽  
N. Hassanain ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Magnetic Semiconductors ◽  
Dilute Magnetic Semiconductors ◽  
Magnetic Impurities ◽  
First Principles Calculations ◽  
Generalized Gradient ◽  
Metallic Behavior ◽  
Half Metallic ◽  
Good Agreement

Using the first-principles calculations within the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA), the structural, optical and magnetic properties of rare-earth nitride Ho[Formula: see text]TM[Formula: see text]N doped with transition metal (TM) atoms (Ti, V, Cr, Mn, Co and Ni) are investigated as a function the generalized gradient approximation and self-interaction correction (GGA–SIC) approximation. The optical properties are studied in detail by using ab-initio calculations. Using GGA–SIC we have showed that the bandgap value is in good agreement with the experimental value. Using GGA–SIC approximation for HoN, we have obtained a bandgap of 0.9 eV. Some of the dilute magnetic semiconductors (DMS) like Ho[Formula: see text]TM[Formula: see text]N under study exhibit a half-metallic behavior, which makes them suitable for spintronic applications. Moreover, the optical absorption spectra confirm the ferromagnetic stability based on the charge state of magnetic impurities.

One-dimensional transition metal dihalide nanowires as robust bipolar magnetic semiconductors

Nanoscale ◽  
2020 ◽  
Vol 12 (16) ◽  
pp. 8942-8948
Author(s):  
Xingyi Tan ◽  
Lili Liu ◽  
Hui Xiang ◽  
Gui-Fang Du ◽  
Ao Lou ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Magnetic Semiconductors ◽  
First Principles Calculations ◽  
One Dimensional ◽  
New Family

Herein, a new family of 1D transition metal dihalide (TMCl2) nanowires are proposed by using first-principles calculations.

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