Tuning the electronic and optical properties of monolayer MoSe2 by uniaxial tensile strain for optoelectronics

2020 ◽  
Author(s):  
Dipali Nayak ◽  
R. Thangavel

2014 ◽  
Vol 141 (6) ◽  
pp. 064707 ◽  
Author(s):  
Huabing Shu ◽  
Shudong Wang ◽  
Yunhai Li ◽  
Joanne Yip ◽  
Jinlan Wang


2012 ◽  
Vol 18-19 ◽  
pp. 77-87 ◽  
Author(s):  
Jian Guang Wang ◽  
Peter Kroll

We Perform Density Functional Theory Calculations of the Hydrogen-Passivated Topological Silicon Carbide Quantum Dots (QDs) and Investigate their Structural, Electronic and Optical Properties. We Study Clusters Constructed from 3C-Sic with up to 8 Topological Shells, Corresponding to Diameters up to 2.2 Nm, Terminated Homogeneously with either Si-H or C-H Bonds. All Qds Exhibit Tensile Strain (1-5 %) within the Cluster Core. the Larger the Cluster, the Smaller the Strain in the Interior, however. Tensile Strain Increases from the inside of the Cluster towards the outside, Reaches a Maximum at the Second Layer below the Surface, and Vanishes only for Bonds Involving Surface Si or C Atoms. Quantum-Confinement Effects Are Observed for the Energy Gaps and Optical Gaps of SiC QDs. Size Has a Major Impact on the Absorption Edge in Comparison to a Weak Effect on the Photon Energy of the Spectra Maxima. Our Calculations Show that Surface Termination Plays a Crucial Role and Strongly Affects Energy Gaps, Optical Gaps and Optical Spectra. Orbitals around the HOMO-LUMO Gap Predominantly Localize within the Core of the Cluster, with Significant Contributions by the Surface for Si-H Terminated Clusters only.



2018 ◽  
Vol 73 (7) ◽  
pp. 661-668 ◽  
Author(s):  
Chenyang Zhao ◽  
Qun Wei ◽  
Meiguang Zhang ◽  
Haiyan Yan ◽  
Xinchao Yang ◽  
...  

AbstractAn investigation of the mechanical, electronic, and optical properties of the recently reported material K4 phosphorus was made in this work. K4 phosphorus has been proved to be mechanically and dynamically stable up to 7 GPa under hydrostatic pressure. We compared the elastic anisotropy, average acoustic velocity, and Debye temperature of K4 phosphorus at 0 and 7 GPa. The ideal tensile properties at large strains of K4 phosphorus were also examined, with the results showing that it would cleave under the tensile strength of 8.5 GPa with the strain of 0.3. In addition, the effect of tensile strain and pressure on optical properties and band gap were studied.



1987 ◽  
Vol 48 (C5) ◽  
pp. C5-529-C5-532 ◽  
Author(s):  
F. LARUELLE ◽  
V. THIERRY-MIEG ◽  
M. C. JONCOUR ◽  
B. ETIENNE


1997 ◽  
Vol 167 (5) ◽  
pp. 558 ◽  
Author(s):  
Nikolai A. Gippius ◽  
V.D. Kulakovskii ◽  
Sergei G. Tikhodeev


2019 ◽  
Author(s):  
Athanasios Koliogiorgos ◽  
Christos Garoufalis ◽  
Iosif Galanakis ◽  
Sotirios Baskoutas


2021 ◽  
Vol 67 (1 Jan-Feb) ◽  
pp. 7
Author(s):  
B. Bachir Bouiadjra ◽  
N. Mehnane ◽  
N. Oukli

Based on the full potential linear muffin-tin orbitals (FPLMTO) calculation within density functional theory, we systematically investigate the electronic and optical properties of (100) and (110)-oriented (InN)/(GaN)n zinc-blende superlattice with one InN monolayer and with different numbers of GaN monolayers. Specifically, the electronic band structure calculations and their related features, like the absorption coefficient and refractive index of these systems are computed over a wide photon energy scale up to 20 eV. The effect of periodicity layer numbers n on the band gaps and the optical activity of (InN)/(GaN)n SLs in the both  growth axis (001) and (110) are examined and compared. Because of prospective optical aspects of (InN)/(GaN)n such as light-emitting applications, this theoretical study can help the experimental measurements.



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