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Intrinsic electron- and hole-phonon interactions are investigated in monolayer transition metal dichalcogenides MX$_2$ (M=Mo,W; X=S,Se) based on a density functional theory formalism. Due to their structural similarities, all four materials…

介观与纳米尺度物理 · 物理学 2015-06-22 Zhenghe Jin , Xiaodong Li , Jeffrey Thomas Mullen , Ki Wook Kim

The deposition of a thin oxide layer at metal/semiconductor interfaces has been previously reported as a means of reducing contact resistance in 2D electronics. Using X-ray photoelectron spectroscopy with in-situ Ti deposition, we fabricate…

材料科学 · 物理学 2019-10-10 Keren M. Freedy , David H. Olson , Patrick E. Hopkins , Stephen J. McDonnell

Electric field effect in electronic double layer transistor (EDLT) configuration with ionic liquids as the dielectric materials is a powerful means of exploring various properties in different materials. Here we demonstrate the modulation…

Density functional theory calculations are used to show that it is possible to dope semiconducting transition metal dichalcogenides (TMD) such as MoS$_2$ and WS$_2$ with electrons and/or holes either by chemical substitution or by…

介观与纳米尺度物理 · 物理学 2014-09-16 A. Carvalho , A. H. Castro Neto

Two-dimensional (2D) materials are a new type of materials under intense study because of their interesting physical properties and wide range of potential applications from nanoelectronics to sensing and photonics. Monolayers of…

High contact resistance is one of the primary concerns for electronic device applications of two-dimensional (2D) layered semiconductors. Here, we explore the enhanced carrier transport through metal-semiconductor interfaces in WS2 field…

Transition metal dichalcogenides have recently emerged as promising two-dimensional materials with intriguing electronic properties. Existing calculations of intrinsic phonon-limited electronic transport so far have concentrated on the…

材料科学 · 物理学 2017-10-05 Nicki Frank Hinsche , Kristian Sommer Thygesen

We present a physics-based compact model for two-dimensional (2D) field-effect transistors (FETs) based on monolayer semiconductors such as MoS2. A semi-classical transport approach is appropriate for the 2D channel, enabling simplified…

介观与纳米尺度物理 · 物理学 2019-08-14 Saurabh V. Suryavanshi , Eric Pop

Recently, $\mathrm{BaSn_2}$ is predicted to be a strong topological insulator by the first-principle calculations. It is well known that topological insulator has a close connection to thermoelectric material, such as $\mathrm{Bi_2Te_3}$…

材料科学 · 物理学 2016-12-21 San-Dong Guo , Liang Qiu

Electrical resistivity, magnetoresistivity, and the Hall effect have been studied in a topological semimetal WTe2 single crystal in the temperature range from 12 to 200 K under magnetic fields up to 9 T. It has been found that quadratic…

Ideal monolayers of common semiconducting transition metal dichalcogenides (TMDCs) such as MoS$_2$, WS$_2$, MoSe$_2$, and WSe$_2$ possess many similar electronic properties. As it is the case for all semiconductors, however, the physical…

Individual monolayers of metal dichalcogenides are atomically thin two-dimensional crystals with attractive physical properties different from their bulk layered counterpart. Here we describe the direct synthesis of WS2 monolayers with…

The diverse electronic properties of transition metal chalcogenides can be very sensitive to crystal imperfections. A new crystal growth technique, known as horizontal flux transport, offers a route to improved crystal quality. By refining…

In this work, we investigate the effect of the stacking sequence in MoS2 multilayer systems on their electron transport properties, through first-principles simulations of structural and electron transport properties. We show that…

材料科学 · 物理学 2018-11-09 Teresa Cusati , Alessandro Fortunelli , Gianluca Fiori , Giuseppe Iannaccone

Using density-functional theory calculations, the atomic and electronic structure of single-layer WS_2 attached to Zr and Co contacts are determined. Both metals form stable interfaces that are promising as contacts for injection of n-type…

介观与纳米尺度物理 · 物理学 2019-09-27 Hamideh Kahnouji , Peter Kratzer , S. Javad Hashemifar

Heusler compounds with six valence electrons per atom have attracted interest as thermoelectric materials owing to their semimetallic and semiconducting properties. Here, we theoretically and experimentally investigate electronic transport…

材料科学 · 物理学 2024-12-10 Fabian Garmroudi , Michael Parzer , Takao Mori , Andrej Pustogow , Ernst Bauer

With the advances in low dimensional transition metal dichalcolgenides (TMDCs) based metal oxide semiconductor field effect transistor (MOSFET), the interface between semiconductors and dielectrics has received considerable attention due to…

计算物理 · 物理学 2017-01-02 Sheng Yu , Shunjie Ran , Hao Zhu , Kwesi Eshun , Chen Shi , Kai Jiang , Qiliang Li

Electrical and thermal properties of atomically thin two-dimensional (2D) materials are affected by their environment, e.g. through remote phonon scattering or dielectric screening. However, while it is known that mobility and thermal…

材料科学 · 物理学 2020-07-14 Alexander J. Gabourie , Saurabh V. Suryavanshi , Amir Barati Farimani , Eric Pop

Charge transfer in type-II heterostructures plays important roles in determining device performance for photovoltaic and photocatalytic applications. However, current theoretical studies of charge transfer process don't consider the effects…

材料科学 · 物理学 2023-08-09 Zhi-Guo Tao , Guo-Jun Zhu , Weibin Chu , Xin-Gao Gong , Ji-Hui Yang

Decoupling charge and heat transport is essential for optimizing thermoelectric materials. Strategies to inhibit lattice-driven heat transport, however, also compromise carrier mobility, limiting the performance of most thermoelectrics,…

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