Intrinsic carrier mobility of Dirac cones: The limitations of deformation potential theory

2014 ◽  
Vol 141 (14) ◽  
pp. 144107 ◽  
Author(s):  
Zhenzhu Li ◽  
Jinying Wang ◽  
Zhirong Liu
Keyword(s):  
Potential Theory ◽  
Carrier Mobility ◽  
Deformation Potential ◽  
Deformation Potential Theory

Oxygen-induced degradation of the electronic properties of thin-layer InSe

2018 ◽  
Vol 20 (4) ◽  
pp. 2238-2250 ◽  
Author(s):  
Xin Wei ◽  
Chaofang Dong ◽  
Aoni Xu ◽  
Xiaogang Li ◽  
Digby D. Macdonald
Keyword(s):  
Band Structure ◽  
Thin Layer ◽  
Electronic Properties ◽  
Potential Theory ◽  
Structural Relaxation ◽  
First Principles ◽  
Carrier Mobility ◽  
Deformation Potential ◽  
First Principles Calculations ◽  
Deformation Potential Theory

The degradation of thin-layer InSe induced by O atoms was quantificationally studied by first-principles calculations and deformation potential theory from the aspects of structural relaxation, band structure, and carrier mobility.

Carrier mobility of one-dimensional vanadium selenide (V2Se9) monolayer and nanoribbon systems: DFT study

2021 ◽  
Author(s):  
Junho Lee ◽  
You Kyoung Chung ◽  
Dongchul Sung ◽  
ByungJoo Jeong ◽  
Seongbae Oh ◽  
...  
Keyword(s):  
Electron Mobility ◽  
Carrier Mobility ◽  
Density Functional ◽  
High Electron ◽  
Deformation Potential ◽  
Functional Theory ◽  
One Dimensional ◽  
Computational Analyses ◽  
Vanadium Selenide ◽  
Deformation Potential Theory

Abstract Vanadium selenide (V2Se9) is a true one-dimensional (1D) crystal composed of atomic nanochains bonded by van der Waals (vdW) interactions. Recent experiments revealed the mechanical exfoliation of newly synthesized V2Se9. In this study, we predicted the electronic and transport properties of V2Se9 through computational analyses. We calculated the intrinsic carrier mobility of V2Se9 monolayers (MLs) and nanoribbons (NRs) using density functional theory and deformation potential theory. We found that the electron mobility of the two-dimensional (2D) (010)-plane ML of V2Se9 is highly anisotropic, reaching μ_(2D,z)^e=1327 cm2 V−1 s−1 across the chain direction. The electron mobility of 1D NR systems in a (010)-plane ML of V2Se9 along the chain direction continuously increased as the thickness increased from 1-chain to 4-chain NR (width below 3 nm). Interestingly, the electron mobility of 1D 4-chain NR along the chain direction (μ_(1D,x)^e=775 cm2 V−1 s−1) was higher than that of a 2D (010)-plane ML (μ_(2D,x)^e=567 cm2 V−1 s−1). These results demonstrate the potential of vdW-1D crystal V2Se9 as a new nanomaterial for ultranarrow (sub-3-nm width) optoelectronic devices with high electron mobility.

scholarly journals High-throughput prediction of the carrier relaxation time via data-driven descriptor

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Zizhen Zhou ◽  
Guohua Cao ◽  
Jianghui Liu ◽  
Huijun Liu
Keyword(s):  
Relaxation Time ◽  
Potential Theory ◽  
Three Dimensional ◽  
Training Data ◽  
Data Driven ◽  
Deformation Potential ◽  
Carrier Relaxation ◽  
Electron Phonon Coupling ◽  
Simple Deformation ◽  
Deformation Potential Theory

Abstract It has been demonstrated that many promising thermoelectric materials, such as tetradymite compounds are also three-dimensional topological insulators. In both cases, a fundamental question is the evaluation of carrier relaxation time, which is usually a rough task due to the complicated scattering mechanisms. Previous works using the simple deformation potential theory or considering complete electron-phonon coupling are, however, restricted to small systems. By adopting a data-driven method named SISSO (Sure Independence Screening and Sparsifying Operator) with the training data obtained via deformation potential theory, we propose an efficient and physically interpretable descriptor to evaluate the relaxation time, using tetradymites as prototypical examples. Without any input from first-principles calculations, the descriptor contains only several elemental properties of the constituent atoms, and could be utilized to quickly and reliably predict the carrier relaxation time of a substantial number of tetradymites with arbitrary stoichiometry.

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