A first-principles study of the electrically tunable band gap in few-layer penta-graphene

2018 ◽  
Vol 20 (26) ◽  
pp. 18110-18116 ◽  
Author(s):  
Jinjin Wang ◽  
Zhanyu Wang ◽  
R. J. Zhang ◽  
Y. X. Zheng ◽  
L. Y. Chen ◽  
...  
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Electronic Properties ◽  
External Electric Field ◽  
First Principles ◽  
First Principles Study ◽  
Tunable Band Gap

Our calculations show that the electronic properties of few-layer penta-graphene can obviously be modulated through an external electric field.

POLARIZABILITY AND SHIELDING OF COAXIAL HYBRID DOUBLE-WALLED NANOTUBES: A FIRST-PRINCIPLES STUDY

2008 ◽  
Vol 07 (04) ◽  
pp. 793-803
Author(s):  
NUANXIANG LI ◽  
QUNXIANG LI ◽  
HAIBIN SU ◽  
Q. W. SHI ◽  
JINLONG YANG
Keyword(s):  
Carbon Nanotube ◽  
Boron Nitride ◽  
Electric Field ◽  
Electronic Properties ◽  
External Electric Field ◽  
First Principles ◽  
Electronic Structures ◽  
Outer Tube ◽  
Boron Nitride Nanotube ◽  
First Principles Study

First-principles studies on electronic structures, transverse polarizability, and shielding of two coaxial hybrid double-walled nanotubes consisting of carbon nanotube (CNT) and boron nitride nanotube (BNNT), namely CNT@BNNT and BNNT@CNT, are conducted. The interaction between inner and outer tubes is considerably weak. The polarizability of single-walled CNT is larger than that of single-walled BNNT due to the different electronic properties. In BNNT@CNT, the outer CNT with delocalized π-electrons character demonstrates a nearly complete shielding with the order of 90% of the inner BNNT from the transverse external electric field, while the outer BNNT has a relative small shielding of about 40% for the inner CNT in CNT@BNNT system. Moreover, the shielding of the outer tube can be appreciably enhanced by increasing the intertube separation.

Tunable band gap and high carrier mobility in stanene by small organic molecule adsorption and external electric field

2021 ◽  
Author(s):  
Meixia Xiao ◽  
Xiao Shao ◽  
Hai Yang Song ◽  
Zhao Li ◽  
Minrong An ◽  
...  
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Electronic Properties ◽  
External Electric Field ◽  
Carrier Mobility ◽  
Organic Molecule ◽  
Small Organic Molecule ◽  
High Carrier Mobility ◽  
High Carrier ◽  
Tunable Band Gap

The effects of small organic molecule (SOM) adsorption with benzene (C6H6), hexafluorobenzene (C6F6), and p‒difluorobenzene (C6H4F2) on the electronic properties of stanene under the external electric field are investigated through...

Carbon phosphide nanosheets and nanoribbons: insights on modulating their electronic properties by first principles calculations

2020 ◽  
Vol 22 (39) ◽  
pp. 22520-22528
Author(s):  
Tong Chen ◽  
Huili Li ◽  
Yuyuan Zhu ◽  
Desheng Liu ◽  
Guanghui Zhou ◽  
...  
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Axial Strain ◽  
Band Gaps ◽  
First Principle ◽  
First Principles Calculations ◽  
Tunable Band Gap

We investigate the tunable band-gap semiconductor characteristics and electronic transport behaviors of 2D and quasi-1D CP derivatives by using first-principle methods. With bi-axial strain, the band gaps display an incremental trend from compression to stretching.

Mechanical properties of monolayer penta-graphene and phagraphene: a first-principles study

2016 ◽  
Vol 18 (38) ◽  
pp. 26736-26742 ◽  
Author(s):  
Hao Sun ◽  
Sankha Mukherjee ◽  
Chandra Veer Singh
Keyword(s):  
Mechanical Properties ◽  
Band Gap ◽  
Electronic Properties ◽  
First Principles ◽  
Direct Band Gap ◽  
First Principles Study ◽  
Direct Band

Two new graphene allotropes, penta-graphene and phagraphene, have been proposed recently with unique electronic properties,e.g.quasi-direct band gap, direction-dependent Dirac cones and tunable Fermi velocities.

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