Enhanced exciton emission behavior and tunable band gap of ternary W(SxSe1−x)2 monolayer: temperature dependent optical evidence and first-principles calculations

Nanoscale ◽  
2018 ◽  
Vol 10 (24) ◽  
pp. 11553-11563 ◽  
Author(s):  
Huimin Sun ◽  
Junyong Wang ◽  
Fang Wang ◽  
Liping Xu ◽  
Kai Jiang ◽  
...  
Keyword(s):  
Band Gap ◽  
Sulfur Content ◽  
First Principles ◽  
First Principles Calculations ◽  
Temperature Dependent ◽  
Exciton Emission ◽  
Cvd Method ◽  
Emission Behavior ◽  
Optical Evidence ◽  
Tunable Band Gap

We report enhanced exciton emission behavior of W(SxSe1−x)2 monolayers with changing the sulfur content derived by the CVD method.

Tunable band gap and magnetism of the two-dimensional nickel hydroxide

RSC Advances ◽  
2015 ◽  
Vol 5 (94) ◽  
pp. 77154-77158 ◽  
Author(s):  
Zhen-Kun Tang ◽  
Wei-Wei Liu ◽  
Deng-Yu Zhang ◽  
Woon-Ming Lau ◽  
Li-Min Liu
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
Nickel Hydroxide ◽  
First Principles ◽  
Electronic Structures ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Tunable Band Gap

The electronic structures and magnetic properties of two dimensional (2D) hexagonal Ni(OH)2 are explored based on first-principles calculations.

Carbon phosphide nanosheets and nanoribbons: insights on modulating their electronic properties by first principles calculations

2020 ◽  
Vol 22 (39) ◽  
pp. 22520-22528
Author(s):  
Tong Chen ◽  
Huili Li ◽  
Yuyuan Zhu ◽  
Desheng Liu ◽  
Guanghui Zhou ◽  
...  
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Axial Strain ◽  
Band Gaps ◽  
First Principle ◽  
First Principles Calculations ◽  
Tunable Band Gap

We investigate the tunable band-gap semiconductor characteristics and electronic transport behaviors of 2D and quasi-1D CP derivatives by using first-principle methods. With bi-axial strain, the band gaps display an incremental trend from compression to stretching.

Tunable band gap Cu2ZnSnS4xSe4(1−x) nanocrystals: experimental and first-principles calculations

CrystEngComm ◽  
2011 ◽  
Vol 13 (7) ◽  
pp. 2222 ◽  
Author(s):  
Hao Wei ◽  
Zichao Ye ◽  
Meng Li ◽  
Yanjie Su ◽  
Zhi Yang ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
First Principles Calculations ◽  
Tunable Band Gap

scholarly journals Temperature-dependent optical constants of monolayer $${\text {MoS}}_2$$, $${\text {MoSe}}_2$$, $${\text {WS}}_2$$, and $${\text {WSe}}_2$$: spectroscopic ellipsometry and first-principles calculations

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Hsiang-Lin Liu ◽  
Teng Yang ◽  
Jyun-Han Chen ◽  
Hsiao-Wen Chen ◽  
Huaihong Guo ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Room Temperature ◽  
Optical Constants ◽  
Near Infrared ◽  
Optical Band Gap ◽  
Transition Metal Dichalcogenides ◽  
First Principles Calculations ◽  
Temperature Dependent ◽  
Metal Dichalcogenides

Abstract The temperature-dependent ($$T = 4.5 \, \hbox {-} \, 500 \, \hbox {K}$$ T = 4.5 - 500 K ) optical constants of monolayer $${\text {MoS}}_2$$ MoS 2 , $${\text {MoSe}}_2$$ MoSe 2 , $${\text {WS}}_2$$ WS 2 , and $${\text {WSe}}_2$$ WSe 2 were investigated through spectroscopic ellipsometry over the spectral range of 0.73–6.42 eV. At room temperature, the spectra of refractive index exhibited several anomalous dispersion features below 800 nm and approached a constant value of 3.5–4.0 in the near-infrared frequency range. With a decrease in temperature, the refractive indices decreased monotonically in the near-infrared region due to the temperature-dependent optical band gap. The thermo-optic coefficients at room temperature had values from $$6.1 \times 10^{-5}$$ 6.1 × 10 - 5 to $$2.6 \times 10^{-4} \, \hbox {K}^{-1}$$ 2.6 × 10 - 4 K - 1 for monolayer transition metal dichalcogenides at a wavelength of 1200 nm below the optical band gap. The optical band gap increased with a decrease in temperature due to the suppression of electron–phonon interactions. On the basis of first-principles calculations, the observed optical excitations at 4.5 K were appropriately assigned. These results provide basic information for the technological development of monolayer transition metal dichalcogenides-based photonic devices at various temperatures.

Novel SnSxSe1−x nanocrystals with tunable band gap: experimental and first-principles calculations

2011 ◽  
Vol 21 (34) ◽  
pp. 12605 ◽  
Author(s):  
Hao Wei ◽  
Yanjie Su ◽  
Shangzhi Chen ◽  
Yang Lin ◽  
Zhi Yang ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
First Principles Calculations ◽  
Tunable Band Gap

scholarly journals The thermal stability of FAPbBr3 nanocrystals from temperature-dependent photoluminescence and first-principles calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (72) ◽  
pp. 44373-44381
Author(s):  
Xiaozhe Wang ◽  
Qi Wang ◽  
Zhijun Chai ◽  
Wenzhi Wu
Keyword(s):  
First Principles ◽  
First Principle ◽  
First Principles Calculations ◽  
Temperature Dependent ◽  
Time Resolved ◽  
First Principle Calculations ◽  
Steady State Time ◽  
Time Resolved Photoluminescence ◽  
Thermal Stability Of ◽  
Temperature Dependent Photoluminescence

The thermal properties of FAPbBr3 perovskite nanocrystals (PNCs) is investigated by use of temperature-dependent steady-state/time-resolved photoluminescence and first-principle calculations.

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.

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