First-principles investigation of the Schottky contact for the two-dimensional MoS<sub>2</sub> and graphene heterostructure

Liu, Biao; Wu, Lijuan; Zhao, Yu‐Qing; Wang, Lingzhi; Cai, Meng‐Qiu

doi:10.1039/c6ra12812b

Cited by 73 publications

(32 citation statements)

References 41 publications

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“…The optimized lattice parameters of SiC and GeC monolayers are 3.09 and 3.23 Å, and the bond lengths of Si-C and Ge-C are 1.79 and 1.86 Å, respectively, which are consistent with other theoretical and experimental results (3.09 and 3.23 Å) [32,33]. The lattice mismatch is about 4.3% between SiC and GeC, which has little effect on the electronic properties of the SiC/GeC heterostructure [34,35]. Thus, we considered a coperiodic lattice consisting of a (4 × 4 × 1) GeC monolayer (16 Ge atoms and 16 C atoms) with (4 × 4 × 1) SiC (16 Si atoms and 16 C atoms), as shown in Figure 1.…”

Section: Methodssupporting

confidence: 87%

Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

Luo

2019

Micromachines

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First-principles calculations were used to investigate the electronic properties of the SiC/GeC nanosheet (the thickness was about 8 Å). With no electric field (E-field), the SiC/GeC nanosheet was shown to have a direct bandgap of 1.90 eV. In the band structure, the valence band of the SiC/GeC nanosheet was mainly made up of C-p, while the conduction band was mainly made up of C-p, Si-p, and Ge-p, respectively. Application of the E-field to the SiC/GeC nanosheet was found to facilitate modulation of the bandgap, regularly reducing it to zero, which was linked to the direction and strength of the E-field. The major bandgap modulation was attributed to the migration of C-p, Si-p, and Ge-p orbitals around the Fermi level. Our conclusions might give some theoretical guidance for the development and application of the SiC/GeC nanosheet.

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Section: Methodssupporting

confidence: 87%

Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

Luo

2019

Micromachines

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“…However, heterostructures based on different materials have been designed and studied a lot, with a variety of 2D materials. Vertical heterostructures based on heterogeneous materials have been widely investigated by changing the rotations of different stacking layers [96,97], or the stacking components in consideration of the great quality of the 2D materials [98,99], or the layer thickness [100], or the interlayer spacing [101][102][103], or the stacking mode [104][105][106]. However, while the tunable mechanisms of vertical structures based on different materials have been discussed a lot, the tunable mechanisms of LHSs with different materials are of less concern.…”

Section: Heterogeneous Junctionsmentioning

confidence: 99%

Recent Advances in 2D Lateral Heterostructures

et al. 2019

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HIGHLIGHTS• The tunable mechanisms of lateral heterostructures on both homogeneous junctions and heterogeneous junctions are summarized.• Electronic and photoelectronic devices with lateral heterostructures have been discussed.• Different types of contacts of 2D lateral heterostructures are classified. • Recent developments in synthesis and nanofabrication technologies of 2D lateral heterostructures are reviewed. ABSTRACT Recent developments in synthesis and nanofabrication technologies offer the tantalizing prospect of realizing various applications from twodimensional (2D) materials. A revolutionary development is to flexibly construct many different kinds of heterostructures with a diversity of 2D materials. These 2D heterostructures play an important role in semiconductor and condensed matter physics studies and are promising candidates for new device designs in the fields of integrated circuits and quantum sciences. Theoretical and experimental studies have focused on both vertical and lateral 2D heterostructures; the lateral heterostructures are considered to be easier for planner integration and exhibit unique electronic and photoelectronic properties. In this review, we give a summary of the properties of lateral heterostructures with homogeneous junction and heterogeneous junction, where the homogeneous junctions have the same host materials and the heterogeneous junctions are combined with different materials. Afterward, we discuss the applications and experimental synthesis of lateral 2D heterostructures. Moreover, a perspective on lateral 2D heterostructures is given at the end.

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“…For this reason, extensive efforts have been carried out to take advantages from each material and combine them into a single device. Prominent accomplishments in such efforts are the synthesis of stacked graphene-MoS 2 junctions20212223 and their application to field effect transistors (FETs)24252627282930313233343536373839 in which MoS 2 and graphene are used as a channel and source(S)-drain(D) electrodes, respectively.…”

mentioning

confidence: 99%

Work Function Tuning in Two-Dimensional MoS2 Field-Effect-Transistors with Graphene and Titanium Source-Drain Contacts

Baik

Choi

2017

Sci Rep

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Based on the first principles calculation, we investigate the electronic band structures of graphene-MoS2 and Ti-MoS2 heterojunctions under gate-voltages. By simultaneous control of external electric fields and carrier charging concentrations, we show that the graphene’s Dirac point position inside the MoS2 bandgap is easily modulated with respect to the co-varying Fermi level, while keeping the graphene’s linear band structure around the Dirac point. The easy modulation of graphene bands is not confined to the special cases where the conduction-band-minimum point of MoS2 and the Dirac point of graphene are matched up in reciprocal space, but is generalized to their dislocated cases. This flexibility caused by the strong decoupling between graphene and MoS2 bands enhances the gate-controlled switching performance in MoS2-graphene hybrid stacking-device.

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First-principles investigation of the Schottky contact for the two-dimensional MoS₂ and graphene heterostructure

Abstract: The electronic properties of an MoS2 and graphene heterostructure are investigated by density functional calculations.

Cited by 73 publications

References 41 publications

Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

Recent Advances in 2D Lateral Heterostructures

Work Function Tuning in Two-Dimensional MoS2 Field-Effect-Transistors with Graphene and Titanium Source-Drain Contacts

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First-principles investigation of the Schottky contact for the two-dimensional MoS2 and graphene heterostructure

Abstract: The electronic properties of an MoS2 and graphene heterostructure are investigated by density functional calculations.

Cited by 73 publications

References 41 publications

Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

Recent Advances in 2D Lateral Heterostructures

Work Function Tuning in Two-Dimensional MoS2 Field-Effect-Transistors with Graphene and Titanium Source-Drain Contacts

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First-principles investigation of the Schottky contact for the two-dimensional MoS₂ and graphene heterostructure