A first-principles study of the III–IV–V semiconductor nanosheets

Amrita Bhattacharya; Saswata Bhattacharya; G. P. Das

doi:10.1039/c4cp04188g

A first-principles study of the III–IV–V semiconductor nanosheets

Physical Chemistry Chemical Physics ◽

10.1039/c4cp04188g ◽

2015 ◽

Vol 17 (2) ◽

pp. 1039-1046 ◽

Cited By ~ 4

Author(s):

Amrita Bhattacharya ◽

Saswata Bhattacharya ◽

G. P. Das

Keyword(s):

Band Gap ◽

First Principles ◽

Nano Composites ◽

First Principles Study ◽

Lower Band ◽

Cohesive Energies

Alloying the III–V and IV–IV sheets leads to III–IV–V nano-composites, such as the BC2N sheet, having a lower band gap than their parent III–V counterparts while having higher cohesive energies.

Download Full-text

Tunability of Structure, Polarization, and Band Gap of High TC Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03980 ◽

2021 ◽

Author(s):

P. S. Ghosh ◽

J. Doherty ◽

S. Lisenkov ◽

I. Ponomareva

Keyword(s):

Hydrostatic Pressure ◽

Band Gap ◽

First Principles ◽

High Tc ◽

First Principles Study

Download Full-text

Band-gap formation in(n,0)single-walled carbon nanotubes(n=9,12,15,18): A first-principles study

Physical Review B ◽

10.1103/physrevb.72.073404 ◽

2005 ◽

Vol 72 (7) ◽

Cited By ~ 43

Author(s):

Takashi Miyake ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Gap Formation ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

Download Full-text

Corrigendum to “Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study” [Surface Science 700 (2020) 121651]

Surface Science ◽

10.1016/j.susc.2020.121719 ◽

2020 ◽

Vol 702 ◽

pp. 121719

Author(s):

Kazume Nishidate ◽

Satoru Tanibayashi ◽

Michiaki Matsukawa ◽

Masayuki Hasegawa

Keyword(s):

Symmetry Breaking ◽

Band Gap ◽

Surface Science ◽

First Principles ◽

First Principles Study ◽

Gap Opening

Download Full-text

Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2019.106320 ◽

2020 ◽

Vol 137 ◽

pp. 106320 ◽

Cited By ~ 6

Author(s):

D.M. Hoat ◽

Mosayeb Naseri ◽

Nguyen N. Hieu ◽

R. Ponce-Pérez ◽

J.F. Rivas-Silva ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Chemical Functionalization ◽

Direct Band Gap ◽

First Principles Study ◽

Direct Band

Download Full-text

Band gap engineering of FeS2 under biaxial strain: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp03453h ◽

2014 ◽

Vol 16 (44) ◽

pp. 24466-24472 ◽

Cited By ~ 25

Author(s):

Pin Xiao ◽

Xiao-Li Fan ◽

Li-Min Liu ◽

Woon-Ming Lau

Keyword(s):

Band Gap ◽

First Principles ◽

Tensile Strain ◽

Biaxial Strain ◽

Band Gap Engineering ◽

First Principles Study ◽

Maximum Value

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

Download Full-text

Direct band gap narrowing and light-harvesting-potential in orthorhombic In-doped-AlFeO3 perovskite: A first principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2018.03.388 ◽

2018 ◽

Vol 750 ◽

pp. 312-319 ◽

Cited By ~ 7

Author(s):

G. Sudha Priyanga ◽

Tiju Thomas

Keyword(s):

Band Gap ◽

First Principles ◽

Light Harvesting ◽

Direct Band Gap ◽

First Principles Study ◽

Direct Band ◽

Band Gap Narrowing

Download Full-text

The structural, electronic and optical properties of γ-glycine under pressure: a first principles study

RSC Advances ◽

10.1039/c8ra08547a ◽

2019 ◽

Vol 9 (7) ◽

pp. 3877-3883 ◽

Cited By ~ 3

Author(s):

Aaron Mei ◽

Xuan Luo

Keyword(s):

Optical Properties ◽

Amino Acid ◽

Band Gap ◽

First Principles ◽

Linear Optics ◽

Electronic And Optical Properties ◽

Non Linear Optics ◽

First Principles Study ◽

Non Linear

The crystallized amino acid γ-glycine is a large band gap insulator that shows promise in the fields of photonics and non-linear optics.

Download Full-text

First-principles study of the band gap tuning and doping control in CdSe x Te1−x alloy for high efficiency solar cell

Chinese Physics B ◽

10.1088/1674-1056/28/8/086106 ◽

2019 ◽

Vol 28 (8) ◽

pp. 086106 ◽

Cited By ~ 9

Author(s):

Jingxiu Yang ◽

Su-Huai Wei

Keyword(s):

Solar Cell ◽

Band Gap ◽

First Principles ◽

High Efficiency ◽

Doping Control ◽

First Principles Study ◽

Band Gap Tuning

Download Full-text

First-principles study of band-gap reduction in GaN/GaSb superlattices

Microelectronics Journal ◽

10.1016/j.mejo.2008.11.026 ◽

2009 ◽

Vol 40 (4-5) ◽

pp. 824-826 ◽

Cited By ~ 4

Author(s):

M. Ishikawa ◽

T. Nakayama

Keyword(s):

Band Gap ◽

First Principles ◽

First Principles Study

Download Full-text

First principles study of silicene symmetrically and asymmetrically functionalized with halogen atoms

RSC Advances ◽

10.1039/c6ra18179a ◽

2016 ◽

Vol 6 (98) ◽

pp. 95846-95854 ◽

Cited By ~ 25

Author(s):

Wencheng Tang ◽

Minglei Sun ◽

Qingqiang Ren ◽

Yajun Zhang ◽

Sake Wang ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Tensile Strain ◽

First Principles Calculations ◽

Direct Band Gap ◽

Halogen Atoms ◽

First Principles Study ◽

Direct Band

Using first principles calculations, we predicted that a direct-band-gap between 0.98 and 2.13 eV can be obtained in silicene by symmetrically and asymmetrically (Janus) functionalisation with halogen atoms and applying elastic tensile strain.

Download Full-text