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Anisotropy refers to the property of a material exhibiting directionally dependent features. In this paper, we introduce black phosphorous (BP), the most stable allotrope of phosphorus in layered orthorhombic structure with a bandgap of 0.3…

Monolayer group-IV monochalcogenides (MX, M = Ge, Sn, Pb; X = S, Se, Te) are a family of novel two-dimensional (2D) materials that have atomic structures closely related to that of the staggered black phosphorus lattice. The structure of…

We predict a new class of three dimensional topological insulators in thallium-based III-V-VI$_2$ ternary chalcogenides, including TlBiQ$_2$ and TlSbQ$_2$ (Q = Te, Se and S). These topological insulators have robust and simple surface…

With first principles calculations, we predict a novel stable 2D layered structure for group VI elements Se and Te that we call square selenene and square tellurene, respectively. They have chair-like buckled structures similar to other…

In this work we introduce a low-energy Hamiltonian for single layer and bilayer black phosphorus that describes the electronic states at the vicinity of the gamma point. The model is based on a recently proposed tight-binding description…

We provide a tight-binding model parametrization for black phosphorus (BP) with an arbitrary number of layers. The model is derived from partially self-consistent $GW_0$ approach, where the screened Coulomb interaction $W_0$ is calculated…

Two-dimensional multiferroics that host nontrivial topological bands offer a rich platform for correlated and tunable quantum phenomena, yet such materials remain rare. Here, using first-principles calculations, we reveal that monolayer…

Two-dimensional layered materials have attracted tremendous attentions due to their extraordinary physical and chemical properties. Using first-principles calculations and Boltzmann transport theory, we give an accurate prediction of the…

We examine a class of Hamiltonians characterized by interatomic, interorbital even-odd parity hybridization as a model for a family of topological insulators without the need for spin-orbit coupling. Non-trivial properties of these…

Atomically thin layered black phosphorous (BP) has recently appeared as an alternative to the transitional metal di chalcogenides for future channel material in a MOS transistor due to its lower carrier effective mass. Investigation of the…

We present thermoelectric properties of Be$_2$C monolayer based on density functional theory and semi-classical Boltzmann transport theory. Electronic structure calculations predict this material as a semiconductor with a direct bandgap of…

A single atomic slice of {\alpha}-tin-stanene-has been predicted to host quantum spin Hall effect at room temperature, offering an ideal platform to study low-dimensional and topological physics. While recent research has intensively…

Topological insulators (TI) realize a novel state of quantum matter that are distinguished by topological invariants of bulk band structure rather than spontaneously broken symmetries. A number of exotic quantum phenomena have been…

Electronic and topological properties of materials are derived from the interplay between crystalline symmetry and dimensionality. Simultaneously introducing 'forbidden' symmetries via quasiperiodic ordering with low-dimensionality into a…

Recently fabricated InSe monolayers exhibit remarkable characteristics that indicate the potential of this material to host a number of many-body phenomena. Here, we consistently describe collective electronic effects in hole-doped InSe…

In this express, we demonstrate few-layer orthorhombic arsenene is an ideal semiconductor. Due to the layer stacking, multilayer arsenenes always behave as intrinsic direct bandgap semiconductors with gap values of around 1 eV. In addition,…

Few-layer black phosphorus was recently rediscovered as a narrow-bandgap atomically thin semiconductor and has already attracted unprecedented attention due to its interesting properties. One feature of this material that sets it apart from…

Interactions among a collection of particles generate many-body effects in solids resulting in striking modifications of material properties. The heavy carrier mass that yields strong interactions and gate control of carrier density over a…

Materials with reduced dimensions have been shown to host a wide variety of exotic properties and novel quantum states that often defy textbook wisdom1-5. Ferroelectric polarization and metallicity are well-known examples of mutually…

Gallium selenide (GaSe) is one of layered group-III metal monochalcogenides, which has an indirect bandgap in monolayer and direct bandgap in bulk unlike other conventional transition metal dichalcogenides (TMDs) such as MoX2 and WX2 (X=S…