Modeling of anisotropic two-dimensional materials monolayer HfS2 and phosphorene metal-oxide semiconductor field effect transistors

Chang, Jiwon

doi:10.1063/1.4921806

Cited by 19 publications

(11 citation statements)

References 21 publications

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“…Theoretically, the heterostructures of transition metal chalcogenides have been predicted to be strong absorbers of light and are suitable materials for photocatalysis application [13]. Field effect transistor based on monolayer HfS 2 has been reported [14]. Recent studies have shown that the band gap of TMCs can be engineered by building TMCs heterostructures [15][16][17] or thinning them down to monolayer [18][19][20][21].…”

mentioning

confidence: 99%

Optical spectrum and excitons in bulk and monolayer MX₂ (M=Zr, Hf; X=S, Se)

Abdulsalam

Joubert

2015

Phys. Status Solidi B

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Abstractauthoren We present first principles calculations of the electronic and optical properties of bulk and monolayer structures for four transition metal chalcogenides, MX2 false(M=Zr and Hf; X=S, Se), using a post density functional many‐body perturbation GW approximation in conjunction with the Bethe–Selpeter approximation (GW‐BSE). Optical absorption spectra predict the presence of a strongly bound exciton that lies below the direct band gap in two bulk (HfS2 and ZrSe2) and in all the monolayer structures. The binding energy of the excitons are predicted to lie between 0.11 and 0.96 eV.

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confidence: 99%

Optical spectrum and excitons in bulk and monolayer MX₂ (M=Zr, Hf; X=S, Se)

Abdulsalam

Joubert

2015

Phys. Status Solidi B

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“…[31][32][33] Low dimensional materials are interesting not only because they can provide access to novel physical phenomena, but also because their unique electrical, optical and mechanical properties make them the focus of attention. [34][35][36][37][38] MoS 2 crystal is composed of Mo atomic layer sandwiched between two layers of S, forming a triangular prismatic arrangement. 39,40 The Mo-S bonding is strong covalent, but the coupling between MoS 2 monolayer is weak van der Waals interactions.…”

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confidence: 99%

First principles calculations of the interface properties of a-Al2O3/MoS2 and effects of biaxial strain

Shi

Xiu

et al. 2017

Journal of Applied Physics

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Al 2 O 3 is a potential dielectric material for metal-oxide-semiconductor (MOS) devices. Al 2 O 3 films deposited on semiconductors usually exhibit amorphous due to lattice mismatch. Compared to two-dimensional graphene, MoS 2 is a typical semiconductor, therefore, it has more extensive application. The amorphousAl 2 O 3 /MoS 2 (a-Al 2 O 3 /MoS 2 ) interface has attracted people's attention because of its unique properties. In this paper, the interface behaviors of a-Al 2 O 3 /MoS 2 under non-strain and biaxial strain are investigated by first principles calculations based on density functional theory (DFT). First of all, the generation process of a-Al 2 O 3 sample is described, which is calculated by molecular dynamics and geometric optimization. Then, we introduce the band alignment method, and calculate band offset of a-Al 2 O 3 /MoS 2 interface. It is found that the valence band offset (VBO) and conduction band offset (CBO) change with the number of MoS 2 layers. The dependence of leakage current on the band offset is also illustrated. At last, the band structure of monolayer MoS 2 under biaxial strain is discussed. The biaxial strain is set in the range from -6% to 6% with the interval of 2%. Impact of the biaxial strain on the band alignment is investigated.

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“…For arsenene, however, we suppose a negligible effect of the transport direction owing to the degenerate CB valleys located between Γ and M points in the hexagonal 1 st BZ. As discussed in the anisotropic 2-D material HfS 2 MOSFETs 35 , aligning one valley in the light effective mass direction is always accompanied by the alignment of the other valleys in the heavy effective mass direction. Therefore, current increase or decrease in one valley is compensated by current decrease or increase in the other valleys, which results in little change in total current.…”

Section: Resultsmentioning

confidence: 93%

“…For the performance assessment against the other 2-D material MOSFETs, we also simulate monolayer phosphorene homostructure MOSFETs with the doping levels of 5 × 10 13 and 1 × 10 14 /cm 2 . We choose phosphorene since phosphorene has been identified as one of the best candidates for 2-D material MOSFETs among the various 2-D materials due to the highly anisotropic CB and VB valleys 35,37 as in Fig. S2.…”

Section: Resultsmentioning

confidence: 99%

Doping-Free Arsenene Heterostructure Metal-Oxide-Semiconductor Field Effect Transistors Enabled by Thickness Modulated Semiconductor to Metal Transition in Arsenene

Seo

Chang

2019

Sci Rep

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Two-dimensional (2-D) materials such as MoS 2 and phosphorene provide an ideal platform to realize extremely thin body metal-oxide-semiconductor field effect transistors (MOSFETs) which is highly immune to short channel effects in the ultra-scaled regime. Even with the excellent electrostatic integrity inherent in 2-D system, however, 2-D materials suffer from the lack of efficient doping method which is crucial in MOSFETs technology. Recently, an unusual phase transition from semiconductor to metal driven by the thickness modulation has been predicted in mono-elemental 2-D material arsenene. Utilizing this extraordinary property, we propose doping-free arsenene heterostructure MOSFETs based on the lateral multilayer (metallic source)/monolayer (semiconducting channel)/multilayer (metallic drain) arsenene heterostructure. Metallic multilayer arsenene in the source and drain can serve as electrodes without doping. We investigate the potential performance of arsenene heterostructure MOSFETs through atomistic simulations using density functional theory and nonequilibrium Green’s function. The intrinsic upper limit of the on-state current in arsenene heterostructure MOSFETs is estimated by studying the effect of layer number in the source and drain. We comprehensively analyze the competitiveness of arsenene heterostructure MOSFETs through benchmarking with monolayer arsenene homostructure MOSFETs equipped with the highly degenerate doped source and drain, suggesting superior performance of heterostructure MOSFETs over homostructure MOSFETs.

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Modeling of anisotropic two-dimensional materials monolayer HfS2 and phosphorene metal-oxide semiconductor field effect transistors

Cited by 19 publications

References 21 publications

Optical spectrum and excitons in bulk and monolayer MX₂ (M=Zr, Hf; X=S, Se)

Optical spectrum and excitons in bulk and monolayer MX₂ (M=Zr, Hf; X=S, Se)

First principles calculations of the interface properties of a-Al2O3/MoS2 and effects of biaxial strain

Doping-Free Arsenene Heterostructure Metal-Oxide-Semiconductor Field Effect Transistors Enabled by Thickness Modulated Semiconductor to Metal Transition in Arsenene

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Modeling of anisotropic two-dimensional materials monolayer HfS2 and phosphorene metal-oxide semiconductor field effect transistors

Cited by 19 publications

References 21 publications

Optical spectrum and excitons in bulk and monolayer MX2 (M=Zr, Hf; X=S, Se)

Optical spectrum and excitons in bulk and monolayer MX2 (M=Zr, Hf; X=S, Se)

First principles calculations of the interface properties of a-Al2O3/MoS2 and effects of biaxial strain

Doping-Free Arsenene Heterostructure Metal-Oxide-Semiconductor Field Effect Transistors Enabled by Thickness Modulated Semiconductor to Metal Transition in Arsenene

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Optical spectrum and excitons in bulk and monolayer MX₂ (M=Zr, Hf; X=S, Se)

Optical spectrum and excitons in bulk and monolayer MX₂ (M=Zr, Hf; X=S, Se)