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Metal contacts to two-dimensional (2D) semiconductors are ubiquitous in modern electronic and optoelectronic devices. Such contacts are, however, often plagued by strong Fermi level pinning (FLP) effect which reduces the tunability of the…
We review vibrational and electronic properties of single and a few layer MoS$_2$ relevant to understand their resonant and non-resonant Raman scattering results. In particular, the optical modes and low frequency shear and layer breathing…
The electronic, phonon, and thermoelectric properties of a two-dimensional HfS2 monolayer are investigated by using the first-principles calculations combined with the Boltzmann transport theory. The band valleys of the HfS2 monolayer can…
The interplay between ferroelectricity and band topology can give rise to a wide range of both fundamental and applied research. Here, we map out the emergence of nontrivial corner states in two-dimensional ferroelectrics, and remarkably…
The diversity of 2D materials and their van der Waals (vdW) stacking presents a fertile ground for engineering novel multifunctional materials and quantum states of matter. This permits unique opportunities to tailor the electronic…
Heterostructures are ubiquitous in many optoelectronic devices and as photocatalysts. One of the key features of a heterojunction is the proper band alignment between the two materials. Estimation of the correct relative band positions with…
Van der Waals (vdW) magnets have opened a new avenue of opportunities encompassing various interesting phases. Co1/3TaS2-an intercalated metallic vdW antiferromagnet-is one of the latest additions to this growing list of materials due to…
Spatial phase inhomogeneity at the nano- to microscale is widely observed in strongly-correlated electron materials. The underlying mechanism and possibility of artificially controlling the phase inhomogeneity are still open questions of…
Artificially twisted heterostructures of semiconducting transition metal dichalcogenides (TMDs) offer unprecedented control over their electronic and optical properties via the spatial modulation of interlayer interactions and structural…
The tunability and twist engineering of van der Waals materials enable the emergence of electronic states not present in individual monolayers. Among them, monolayer 1T-TaS$_2$ is a well-known Mott insulating system, whose star-of-David…
Ferroelectric higher-order topological insulators (HOTIs) exhibit tunable physical properties arising from the interplay between ferroelectric polarization and band topology. This work investigates the topological origin of two classes of…
Recent experiment has uncovered semimetal bismuth (Bi) as an excellent electrical contact to monolayer MoS$_2$ with ultralow contact resistance. The contact physics of the broader semimetal/monolayer-semiconductor family beyond Bi/MoS$_2$,…
We have investigated atomic and electronic structure of grain boundaries in monolayer MoS2, where relative angles between two different grains are 0 and 60 degree. The grain boundaries with specific relative angle have been formed with…
A scheme is proposed to electrically measure the spin-momentum coupling in the topological insulator surface state by injection of spin polarized electrons from silicon. As a first approach, devices were fabricated consisting of thin…
We demonstrate that the electrical property of a single layer molybdenum disulfide (MoS2) can be significantly tuned from semiconducting to insulating regime via controlled exposure to oxygen plasma. The mobility, on-current and resistance…
An inherent difficulty in studying mesoscopic effects in semiconductor--superconductor hybrid structures is the large Schottky barrier which often forms at the interface. A large technological effort has been invested in in improving the…
Recently, intriguing phenomena of superconductivity, type-II Weyl semimetal or quantum spin Hall states were discovered in metastable 1T'-type VIB-group transition metal dichalcogenides (TMDs). Here, we report that monoclinic phase WS2 was…
We study electron transport in monolayer molybdenum disulfide MoS$_2$ subjected to a magnetic barrier. Our analysis employs a full-band continuum model to capture the relevant physical phenomena. We focus on how electron energy, magnetic…
Recent discovery of ultrathick $\mathrm{MoSi_2N_4(MoN)_n}$ monolayers open up an exciting platform to engineer 2D material properties via intercalation architecture. Here we computationally investigate a series of ultrathick…
Quantum spin Hall insulators (QSHI) have been proposed to power a number of applications, many of which rely on the possibility to switch on and off the non-trivial topology. Typically this control is achieved through strain or external…