Direct Laser Cooling Schemes for the Triatomic SOH and SeOH Molecules Based on Ab Initio Electronic Properties

2020 ◽  
Author(s):  
Li Liu ◽  
Chuan-Lu Yang ◽  
Zhaopeng Sun ◽  
Meishan Wang ◽  
Xiano-Guang Ma
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Electronic Properties ◽  
Laser Cooling ◽  
Promising Method ◽  
Optical Scheme ◽  
Electronic And Optical Properties ◽  
Cold Molecules ◽  
Direct Laser

The direct laser cooling is a very promising method to obtain cold molecules for various applications. However, a molecule with satisfactory electronic and optical properties for the optical scheme is...

scholarly journals First-Principles Study on the Stabilities, Electronic and Optical Properties of GexSn1-xSe Alloys

Nanomaterials ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 876 ◽  
Author(s):  
Qi Qian ◽  
Lei Peng ◽  
Yu Cui ◽  
Liping Sun ◽  
Jinyan Du ◽  
...  
Keyword(s):  
Optical Properties ◽  
Solar Cells ◽  
Band Gap ◽  
Electronic Properties ◽  
First Principles ◽  
Future Application ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
Direct Bandgap ◽  
The Future

We systematically study, by using first-principles calculations, stabilities, electronic properties, and optical properties of GexSn1-xSe alloy made of SnSe and GeSe monolayers with different Ge concentrations x = 0.0, 0.25, 0.5, 0.75, and 1.0. Our results show that the critical solubility temperature of the alloy is around 580 K. With the increase of Ge concentration, band gap of the alloy increases nonlinearly and ranges from 0.92 to 1.13 eV at the PBE level and 1.39 to 1.59 eV at the HSE06 level. When the Ge concentration x is more than 0.5, the alloy changes into a direct bandgap semiconductor; the band gap ranges from 1.06 to 1.13 eV at the PBE level and 1.50 to 1.59 eV at the HSE06 level, which falls within the range of the optimum band gap for solar cells. Further optical calculations verify that, through alloying, the optical properties can be improved by subtle controlling the compositions. Since GexSn1-xSe alloys with different compositions have been successfully fabricated in experiments, we hope these insights will contribute to the future application in optoelectronics.

scholarly journals Ab initio modelling of local interfaces in doped organic semiconductors

2020 ◽  
Vol 22 (6) ◽  
pp. 3527-3538 ◽  
Author(s):  
Ana M. Valencia ◽  
Michele Guerrini ◽  
Caterina Cocchi
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Organic Semiconductors ◽  
Electronic And Optical Properties ◽  
Interface Structures

Local interface structures affect the ab initio modelling of the electronic and optical properties of doped organic semiconductors.

scholarly journals Electronic and Optical Properties of Rare Earth Oxides: <i>Ab Initio</i> Calculation

2015 ◽  
Vol 05 (02) ◽  
pp. 78-85 ◽  
Author(s):  
Sezen Horoz ◽  
Sevket Simsek ◽  
Selami Palaz ◽  
Amirullah M. Mamedov
Keyword(s):  
Optical Properties ◽  
Rare Earth ◽  
Ab Initio ◽  
Rare Earth Oxides ◽  
Electronic And Optical Properties

Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (1 0 1) surface

2017 ◽  
Vol 1120 ◽  
pp. 17-23 ◽  
Author(s):  
Dragan Toprek ◽  
Vasil Koteski ◽  
Jelena Belošević-Čavor ◽  
Valentin Ivanovski ◽  
Ana Umićević
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Anatase Tio2 ◽  
Ab Initio Study ◽  
Electronic And Optical Properties

Electronic and optical properties of graphene-like InAs: An ab initio study

2018 ◽  
Vol 133 (3) ◽  
Author(s):  
Leila Sohrabi ◽  
Arash Boochani ◽  
S. Ali Sebt ◽  
S. Mohammad Elahi
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Electronic And Optical Properties

Manipulating the optical and electronic properties of MoO3 films through electric-field-induced ion migration

2021 ◽  
Author(s):  
Xiaoxia Wang ◽  
Fanfan Du ◽  
Yingmei Zhang ◽  
Jie Yang ◽  
Xiaoli Li ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Optical Properties ◽  
Electric Field ◽  
Electronic Properties ◽  
Hydrogen Ions ◽  
Lithium Ions ◽  
Ion Migration ◽  
Electronic And Optical Properties ◽  
Acidic Ionic Liquid ◽  
Optical And Electronic Properties

The intercalation of hydrogen ions and lithium ions in MoO3 films is realized by acidic ionic liquid gating, which modifies the electronic and optical properties of MoO3 films, is promising for designing multifunctional devices.

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