Band gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principles

2010 ◽  
Vol 108 (10) ◽  
pp. 103701 ◽  
Author(s):  
X. Y. Cui ◽  
B. Delley ◽  
C. Stampfl
2010 ◽  
Vol 24 (24) ◽  
pp. 4851-4859
Author(s):  
KAIHUA HE ◽  
GUANG ZHENG ◽  
GANG CHEN ◽  
QILI CHEN ◽  
MIAO WAN ◽  
...  

The structural and electronic properties of BN(5, 5) and C(5, 5) nanotubes under pressure are studied by using first principles calculations. In our study range, BN(5, 5) undergoes obvious elliptical distortion, while for C(5, 5) the cross section first becomes an ellipse and then, under further pressure, is flattened. The band gap of BN(5, 5) decreases with increasing pressure, which is inverse to that of zinc blende BN, whereas for C(5, 5) the metallicity is always preserved under high pressure. The population of charge density indicates that intertube bonding is formed under pressure. We also find that BN(5, 5) may collapse, and a new polymer material based on C(5, 5) is formed by applying pressure.


2014 ◽  
Vol 16 (44) ◽  
pp. 24466-24472 ◽  
Author(s):  
Pin Xiao ◽  
Xiao-Li Fan ◽  
Li-Min Liu ◽  
Woon-Ming Lau

The band gap increases with increasing tensile strain to its maximum value at 6% strain and then decreases.


RSC Advances ◽  
2015 ◽  
Vol 5 (73) ◽  
pp. 59344-59348 ◽  
Author(s):  
Xin Cong ◽  
Yiming Liao ◽  
Qiji Peng ◽  
Yidan Yang ◽  
Chuan Cheng ◽  
...  

By using first-principles calculations, the band structures of graphyne nanoribbons with armchair (a-GNRs) and zigzag (z-GNRs) edges under various strains are investigated.


2020 ◽  
Vol 253 ◽  
pp. 123308 ◽  
Author(s):  
Mukhtar Lawan Adam ◽  
Oyawale Adetunji Moses ◽  
Zia ur Rehman ◽  
Zhanfeng Liu ◽  
Li Song ◽  
...  

2018 ◽  
Vol 142 ◽  
pp. 268-276 ◽  
Author(s):  
José Luis Cuevas ◽  
Francisco de Santiago ◽  
Jesús Ramírez ◽  
Alejandro Trejo ◽  
Álvaro Miranda ◽  
...  

2017 ◽  
Vol 7 (6) ◽  
pp. 516-522 ◽  
Author(s):  
Jamal Talla ◽  
Majid Abusini ◽  
Khaled Khazaeleh ◽  
Rami Omari ◽  
Mohammed Serhan ◽  
...  

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