scholarly journals Tuning electronic and magnetic properties of partially hydrogenated graphene by biaxial tensile strain: a computational study

2014 ◽  
Vol 9 (1) ◽  
pp. 491 ◽  
Author(s):  
Er Song ◽  
Ghafar Ali ◽  
Sung Yoo ◽  
Qing Jiang ◽  
Sung Cho
2021 ◽  
Vol 197 ◽  
pp. 110644
Author(s):  
Juan Song ◽  
Zhao Ding ◽  
Xue-Fei Liu ◽  
Ze-Chen Huang ◽  
Jia-Wei Li ◽  
...  

2021 ◽  
Author(s):  
Priya kaushal ◽  
Tarun Chaudhary ◽  
Gargi Khanna

Abstract The present work is based on the computational study of MoS2 monolayer and effect of tensile strain on its atomic level structure. The bandgap for MoS2 monolayer, defected MoS2 monolayer and Silicon-doped monolayer are 1.82 eV (direct bandgap), 0.04 (indirect bandgap) and 1.25eV (indirect bandgap), respectively. The impact of tensile strain (0-0.7%) on the bandgap and effective mass of charge carriers of these three MoS2 structure has been investigated. The bandgap decrease of 5.76%, 31.86% and 6.03% has been observed in the three structures for biaxial strain while the impact of uniaxial strain is quite low. The impact of higher temperature on the bandgap under biaxial tensile strain has been also analyzed in this paper. These observations are extremely important for 2D material-based research for electronic applications.


RSC Advances ◽  
2017 ◽  
Vol 7 (82) ◽  
pp. 52065-52070 ◽  
Author(s):  
Lin Wei ◽  
Xiaoming Zhang ◽  
Xiaobiao Liu ◽  
Hongcai Zhou ◽  
Bo Yang ◽  
...  

C2N6S3 sustains a biaxial tensile strain up to 24% and its Fermi velocity can be tuned by biaxial strain.


2018 ◽  
Vol 97 (19) ◽  
Author(s):  
D. Saladukha ◽  
M. B. Clavel ◽  
F. Murphy-Armando ◽  
G. Greene-Diniz ◽  
M. Grüning ◽  
...  

2019 ◽  
Vol 21 (27) ◽  
pp. 15151-15156 ◽  
Author(s):  
Guang Yang ◽  
Jia Li ◽  
Ze Liu ◽  
Congcong Li ◽  
Xiujuan Mao

Spin splitting, valley splitting and Berry curvature at the K and K′ valleys of a MoS2/CoO(111) heterostructure can be tuned continually by biaxial tensile strain.


2018 ◽  
Vol 20 (43) ◽  
pp. 27611-27620 ◽  
Author(s):  
Armin Taheri ◽  
Carlos Da Silva ◽  
Cristina H. Amon

A first-principles study is conducted to investigate the effect of biaxial tensile strain on phonon properties and thermal conductivity of buckled phosphorene and arsenene, novel two-dimensional (2D) materials of group-VA.


2016 ◽  
Vol 4 (20) ◽  
pp. 4538-4545 ◽  
Author(s):  
H. Y. Lv ◽  
W. J. Lu ◽  
D. F. Shao ◽  
H. Y. Lu ◽  
Y. P. Sun

The thermoelectric performance of the ZrS2monolayer is greatly enhanced by the biaxial tensile strain, due to the simultaneous increase of the Seebeck coefficient and decrease of the thermal conductivity.


RSC Advances ◽  
2015 ◽  
Vol 5 (42) ◽  
pp. 33407-33413 ◽  
Author(s):  
W. X. Zhang ◽  
C. He ◽  
T. Li ◽  
S. B. Gong

The structural, electronic and magnetic properties can be modulated by changing the SW LD locations and axis tensile strain of 10-ZGNRs using density functional theory.


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