Tensile strain effects on electronic and optical properties of functionalized diamondene-like Si4

2021 ◽  
Vol 56 (9) ◽  
pp. 5684-5696
Author(s):  
Huabing Shu
Keyword(s):  
Optical Properties ◽  
Tensile Strain ◽  
Strain Effects ◽  
Electronic And Optical Properties

Tunable electronic and optical properties of monolayer silicane under tensile strain: A many-body study

2014 ◽  
Vol 141 (6) ◽  
pp. 064707 ◽  
Author(s):  
Huabing Shu ◽  
Shudong Wang ◽  
Yunhai Li ◽  
Joanne Yip ◽  
Jinlan Wang
Keyword(s):  
Optical Properties ◽  
Tensile Strain ◽  
Many Body ◽  
Electronic And Optical Properties

Structural, Electronic and Optical Properties of SiC Quantum Dots

2012 ◽  
Vol 18-19 ◽  
pp. 77-87 ◽  
Author(s):  
Jian Guang Wang ◽  
Peter Kroll
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Density Functional ◽  
Tensile Strain ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Electronic And Optical Properties ◽  
Energy Gaps ◽  
Quantum Confinement Effects ◽  
Homo Lumo

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.

scholarly journals Strain effects on electronic, optical properties and carriers mobility of Cs2SnI6 double perovskite: A promising photovoltaic material

2021 ◽  
Author(s):  
B. Rezini ◽  
T. Seddik ◽  
R. Mouacher ◽  
Tuan Vu ◽  
Mohammed Batouche ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Carrier Mobility ◽  
Tensile Strain ◽  
Compressive Strain ◽  
Double Perovskite ◽  
Band Gap Energy ◽  
Exchange Potential ◽  
Photovoltaic Properties ◽  
Strain Effects

Owing to the fascinating optoelectronic and photovoltaic properties, perovskite halide materials have attracted much attention for solar cells applications. Using the first-principles approaches, we present here results of calculations of the strain effects on electronic and optical properties as well as carriers mobility of CsSnI double perovskite. The calculated band gap energy of unstrained CsSnI is about 1.257 eV when using Tran-Blaha modified Becke Johnson (mBJ) exchange potential that is in fair agreement with experimental measurements. Under the applied strains, this band gap value increases up to 1.316 eV for -4% compressive strain and decreases till 1.211 eV for 4% tensile strain. This effect is mainly due to the fact that the conduction band minimum shifts under compressive and tensile strains. From carrier mobility calculations, we notice that under tensile strain both hole and electron carrier mobilitiy diminishes, whereas the carrier mobility increases by 25.7 % for electron and by 15 % for holes under -4% compressive strain. Moreover, the optical analysis reveals that applied strain can affect the optical properties of CsSnI perovskite.

Sign in / Sign up

Export Citation Format

Share Document