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Two-Dimensional TeB Structures with Anisotropic Carrier Mobility and Tunable Bandgap.

ABSTRACT: Two-dimensional (2D) semiconductors with desirable bandgaps and high carrier mobility have great potential in electronic and optoelectronic applications. In this work, we proposed α-TeB and β-TeB monolayers using density functional theory (DFT) combined with the particle swarm-intelligent global structure search method. The high dynamical and thermal stabilities of two TeB structures indicate high feasibility for experimental synthesis. The electronic structure calculations show that the two structures are indirect bandgap semiconductors with bandgaps of 2.3 and 2.1 eV, respectively. The hole mobility of the β-TeB sheet is up to 6.90 × 102 cm2 V-1 s-1. By reconstructing the two structures, we identified two new horizontal and lateral heterostructures, and the lateral heterostructure presents a direct band gap, indicating more probable applications could be further explored for TeB sheets.

SUBMITTER: Zhang Y

PROVIDER: S-EPMC8588529 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature

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Two-Dimensional TeB Structures with Anisotropic Carrier Mobility and Tunable Bandgap.

Zhang Yukai Y Qu Xin X Yang Lihua L Zhong Xin X Wang Dandan D Wang Jian J Sun Baiyang B Liu Chang C Lv Jian J Yang Jinghai J

Molecules (Basel, Switzerland) 20211023 21

Two-dimensional (2D) semiconductors with desirable bandgaps and high carrier mobility have great potential in electronic and optoelectronic applications. In this work, we proposed <i>α</i>-TeB and <i>β</i>-TeB monolayers using density functional theory (DFT) combined with the particle swarm-intelligent global structure search method. The high dynamical and thermal stabilities of two TeB structures indicate high feasibility for experimental synthesis. The electronic structure calculations show th ...[more]

PMID: 34770813

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Project description:Carrier transport was studied both numerically and experimentally using scanning photocurrent microscopy (SPCM) in two-dimensional (2D) transport structures, where the structure size in the third dimension is much smaller than the diffusion length and electrodes cover the whole terminal on both sides. Originally, one would expect that with increasing width in 2D transport structures, scanning photocurrent profiles will gradually deviate from those of the ideal one-dimensional (1D) transport structure. However, the scanning photocurrent simulation results surprisingly showed almost identical profiles from structures with different widths. In order to clarify this phenomenon, we observed the spatial distribution of carriers. The simulation results indicate that the integrated carrier distribution in the 2D transport structures with finite width can be well described by a simple-exponential-decay function with the carrier decay length as the fitting parameter, just like in the 1D transport structures. For ohmic-contact 2D transport structures, the feasibility of the fitting formula from our previous 1D analytical model was confirmed. On the other hand, the application of a simple-exponential-decay function in scanning photocurrent profiles for the diffusion length extraction in Schottky-contact 2D transport structures was also justified. Furthermore, our simulation results demonstrate that the scanning photocurrent profiles in the ohmic- or Schottky-contact three-dimensional (3D) transport structures with electrodes covering the whole terminal on both sides will reduce to those described by the corresponding 1D fitting formulae. Finally, experimental SPCM on a p-type InGaAs air-bridge two-terminal thin-film device was carried out. The measured photocurrent profiles can be well fitted by the specific fitting formula derived from our previous 1D analytical model and the extracted electron mobility-lifetime product of this thin-film device is 6.6 × 10-7 cm2·V-1. This study allows us to extract the minority carrier decay length and to obtain the mobility-lifetime product which can be used to evaluate the performance of 2D carrier transport devices.

Dataset Information

Two-Dimensional TeB Structures with Anisotropic Carrier Mobility and Tunable Bandgap.

Publications

Two-Dimensional TeB Structures with Anisotropic Carrier Mobility and Tunable Bandgap.

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