Half-Heusler compounds with a 1 eV (1.7 eV) direct band gap, lattice-matched to GaAs (Si), for solar cell application: A first-principles study

2016 ◽  
Vol 253 (5) ◽  
pp. 889-894 ◽  
Author(s):  
N. Belmiloud ◽  
F. Boutaiba ◽  
A. Belabbes ◽  
M. Ferhat ◽  
F. Bechstedt
Keyword(s):  
Solar Cell ◽  
Band Gap ◽  
First Principles ◽  
Heusler Compounds ◽  
Solar Cell Application ◽  
Direct Band Gap ◽  
First Principles Study ◽  
Direct Band ◽  
Lattice Matched

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

2020 ◽  
Vol 137 ◽  
pp. 106320 ◽  
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

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

RSC Advances ◽  
2016 ◽  
Vol 6 (98) ◽  
pp. 95846-95854 ◽  
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.

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.

scholarly journals Direct and quasi-direct band gap silicon allotropes with remarkable stability

2016 ◽  
Vol 18 (14) ◽  
pp. 9682-9686 ◽  
Author(s):  
Chaoyu He ◽  
Chunxiao Zhang ◽  
Jin Li ◽  
Xiangyang Peng ◽  
Lijun Meng ◽  
...  
Keyword(s):  
Solar Cell ◽  
Band Gap ◽  
Low Energy ◽  
Solar Cell Application ◽  
Direct Band Gap ◽  
Direct Band

Promising low energy direct or quasi-direct band gap semiconductors for solar cell application.

Strain-induced semimetal-to-semiconductor transition and indirect-to-direct band gap transition in monolayer 1T-TiS2

RSC Advances ◽  
2015 ◽  
Vol 5 (102) ◽  
pp. 83876-83879 ◽  
Author(s):  
Chengyong Xu ◽  
Paul A. Brown ◽  
Kevin L. Shuford
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Plane Strain ◽  
Material Properties ◽  
First Principles ◽  
Tensile Strain ◽  
First Principles Calculations ◽  
Direct Band Gap ◽  
Direct Band ◽  
Uniform Plane

We have investigated the effect of uniform plane strain on the electronic properties of monolayer 1T-TiS2using first-principles calculations. With the appropriate tensile strain, the material properties can be transformed from a semimetal to a direct band gap semiconductor.

Sign in / Sign up

Export Citation Format

Share Document