Related papers: Strain-induced topological phase transition in two…
The topological edge states of two-dimensional topological insulators with large energy gap furnish ideal conduction channels for dissipationless current transport. Transition metal tellurides XTe5 (X=Zr, Hf) are theoretically predicted to…
Due to their physical properties and potential applications in energy conversion and storage, transition metal dichalcogenides (TMDs) have garnered substantial interest in recent years. Amongst this class of materials, TMDs based on…
Recent progress in understanding the electronic band topology and emergent topological properties encourage us to reconsider the band structure of well-known materials including elemental substances. Controlling such a band topology by…
Much effort has been made to modify the properties of transition metal dichalcogenide layers via their environment as a route to new functionalization. However, it remains a challenge to induce large electronic changes without chemically…
Due to the strong quantum confinement effect, few-layer {\gamma}-InSe exhibits a layer-dependent bandgap, spanning the visible and near infrared regions, and thus recently draws tremendous attention. As a two-dimensional material, the…
Using DFT-based first-principles calculations, we demonstrate the tuning of the electronic structure of Weyl semimetal SrSi$_{2}$ via external uniaxial strain. The uniaxial strain facilitates the opening of bandgap along $\Gamma$-X…
We determine the topological phase diagram of BiTl(S$_{1-\delta}$Se$_{\delta}$)$_2$ as a function of doping and temperature from first-principles calculations. Due to electron\textendash phonon interaction, the bands are renormalized at…
Tuning dimensionality in van der Waals materials with finite interlayer coupling has introduced various electronic phase transitions by conventional mechanical exfoliation. Particularly when the electronic order is tied to the modulation of…
We used density functional theory to investigate the lateral heteromonolayers of WTe2 and MoTe2. We confirmed that topologically nontrivial and trivial phases are energetically favored for the WTe2 and MoTe2 monolayers, taken out of bulk…
PdTe2 has been synthesized with controllable thickness down to the monolayer limit. Based on first-principles calculations within the fully anisotropic Migdal-Eliashberg framework, this work reveals that alkali-metal intercalation markedly…
In recent years, researchers have manifested their interest in the two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite the…
A high power factor and low lattice thermal conductivity are two essential ingredients of highly efficient thermoelectric materials. Although monolayers of transition metal dichalcogenides possess high power factors, high lattice thermal…
Strain engineering is a very effective method to tune electronic, optical, topological and thermoelectric properties of materials. In this work, we systematically study biaxial strain dependence of electronic structures and thermoelectric…
We investigate the possibility of using structural disorder to induce a topological phase in a solid state system. Using first-principles calculations, we introduce structural disorder in the trivial insulator BiTeI and observe the…
The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and…
Tungsten ditelluride (WTe2) is a layered material that exhibits excellent magnetoresistance and thermoelectric behaviors, which are deeply related with its distorted orthorhombic phase that may critically affect the lattice dynamics. Here,…
Transition-metal dichalcogenide IrTe2 has attracted attention because of striped lattice, charge ordering and superconductivity. We have investigated the surface structure of IrTe2, using low energy electron diffraction (LEED) and scanning…
Tantalum ditelluride TaTe$_2$ belongs to the family of layered transition metal dichalcogenides but exhibits a unique structural phase transition at around 170 K that accompanies the rearrangement of the Ta atomic network from a "ribbon…
We investigate the effect of disorder on topologically nontrivial states in a two dimension (2D) mechanical system. We first propose a quantum spin Hall (QSH) insulator based on an out-of-plane spring-mass model and analytically study the…
A few-layer palladium diselenide (PdSe2) field effect transistor is studied under external stimuli such as electrical and optical fields, electron irradiation and gas pressure. We observe ambipolar conduction and hysteresis in the transfer…