scholarly journals Electronic properties of layered multicomponent wide-band-gap oxides: A combinatorial approach

2012 ◽  
Vol 85 (15) ◽  
Author(s):  
Altynbek Murat ◽  
Julia E. Medvedeva
Nano LIFE ◽  
2012 ◽  
Vol 02 (02) ◽  
pp. 1240005
Author(s):  
YUNLONG LIAO ◽  
ZHONGFANG CHEN

First-principles computations were performed to investigate the uniform bending effect on the electronic properties of armchair boron nitride nanoribbons (aBNNRs) with experimentally obtained width. For both bare and hydrogen-terminated aBNNRs, the band gaps only slightly depend on the uniform bending. The insensitivity of the band structures of BNNRs to the uniform bending makes them ideal materials when their wide band gap character is desired.


2011 ◽  
Vol 1331 ◽  
Author(s):  
Ka Xiong ◽  
Weichao Wang ◽  
Roberto Longo Pazos ◽  
Kyeongjae Cho

ABSTRACTWe investigate the electronic structure of interstitial Li and Li vacancy in Li7P3S11 by first principles calculations. We find that Li7P3S11 is a good insulator with a wide band gap of 3.5 eV. We find that the Li vacancy and interstitial Li+ ion do not introduce states in the band gap hence they do not deteriorate the electronic properties of Li7P3S11. The calculated formation energies of Li vacancies are much larger than those of Li interstitials, indicating that the ion conductivity may arise from the migration of interstitial Li.


2012 ◽  
Vol 358 (17) ◽  
pp. 2428-2430 ◽  
Author(s):  
A. Darga ◽  
W. Favre ◽  
Morgane Fruzzetti ◽  
J.-P. Kleider ◽  
B. Morel ◽  
...  

1993 ◽  
Vol 2 (5-7) ◽  
pp. 773-777 ◽  
Author(s):  
G. De Cesare ◽  
F. Galluzzi ◽  
G. Guattari ◽  
G. Leo ◽  
R. Vincenzoni ◽  
...  

2004 ◽  
Vol 95 (8) ◽  
pp. 4184-4192 ◽  
Author(s):  
E. Pelucchi ◽  
S. Rubini ◽  
B. Bonanni ◽  
A. Franciosi ◽  
A. Zaoui ◽  
...  

RSC Advances ◽  
2019 ◽  
Vol 9 (15) ◽  
pp. 8435-8443 ◽  
Author(s):  
Dehe Zhao ◽  
Wei Gao ◽  
Yujing Li ◽  
Yuyuan Zhang ◽  
Hong Yin

Clarifying the electronic states and structures of the c-BN/diamond interface is of extreme importance for bundling these two different wide-band gap materials in order to synthesize hybrid structures with new functional properties.


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