Electronic structure, optical, thermoelectric and magnetic properties of A2CdP2 (A = Ca, Sr and Ba) n-type narrow band gap semiconductors

2022 ◽  
Vol 142 ◽  
pp. 106443
Salma Aman ◽  
Hind Albalawi ◽  
Hafiz Muhammad Tahir Farid ◽  
Khaled H. Mahmoud ◽  
Zeinhom M. El-Bahy
2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

2014 ◽  
Vol 53 (18) ◽  
pp. 9959-9968 ◽  
Daniel E. Bugaris ◽  
Christos D. Malliakas ◽  
Daniel P. Shoemaker ◽  
Dat T. Do ◽  
Duck Young Chung ◽  

2014 ◽  
Vol 215 ◽  
pp. 28-34 ◽  
Michael A. Korotin ◽  
Nikolay A. Skorikov ◽  
Ernst Z. Kurmaev ◽  
Dmitry A. Zatsepin ◽  
Seif O. Cholakh

X-ray photoelectron spectra of TiO2:Fe are measured. Electronic structure and magnetic properties of rutile doped by iron are calculated in frames of the coherent potential approximation. The main experimental spectral features of TiO2:Fe such as heterovalent cation substitution (Fe3+→Ti4+), decreasing of the band gap value and appearance of additional features at the bottom and top of X-ray photoelectron spectra of valence band in comparison with those for undoped TiO2 are described.

1990 ◽  
Vol 41 (17) ◽  
pp. 12079-12085 ◽  
S. Massidda ◽  
A. Continenza ◽  
A. J. Freeman ◽  
T. M. de Pascale ◽  
F. Meloni ◽  

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