Related papers: $\mathrm{BaAs_3}$: A narrow gap 2D semiconductor w…

In this review, we present recent works on materials whose common point is the presence of electronic bands of very low dispersion, called "flat bands", which are due to specific atomic order effects without electron interactions. These…

Combining first-principles density functional method and crystal structure prediction techniques, we report a series of hexagonal two-dimensional (2D) transition metal borides (TMBs) including Sc2B2, Ti2B2, V2B2, Cr2B2, Y2B2, Zr2B2, and…

Two-dimensional (2D) materials, such as graphene and transition metal dichalcogenides have attracted great attention because of the rich physics and potential applications in next-generation nano-sized electronic devices. Recently,…

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…

Metal-ion batteries are in huge demand to cope with the increasing need for renewable energy, especially in automobiles. In this work, we apply first-principle calculations to examine two-dimensional beryllium carbide (2D-Be2C) as a…

Atomically thin transition metal dichalcogenide crystals (TMDCs) have extraordinary optical properties that make them attractive for future optoelectronic applications. Integration of TMDCs into practical all-dielectric heterostructures…

Barium titanate (BaTiO$_3$) is emerging as a powerful integrated photonic material, combining strong $X^{(2)}$ and electro-optic nonlinearities with rapidly improving thin-film waveguide quality. Recent demonstrations of low-loss BaTiO$_3$…

Two-dimensional (2D) transition metal nitrides (TMNs) are new members in the 2D materials family with a wide range of applications. Particularly, highly crystalline and large area thin films of TMNs are potentially promising for…

In three-dimensional topological insulators (3D TI) nanowires, transport occurs via gapless surface states where the spin is fixed perpendicular to the momentum[1-6]. Carriers encircling the surface thus acquire a \pi Berry phase, which is…

We have performed electronic structure calculations to explore the band-gap dependence on polytypes for $sp^3$-bonded semiconducting materials, i.e., SiC, AlN, BN, GaN, Si, and diamond. In this comprehensive study, we have found that…

We demonstrate the tunability of oxygen content in pulsed laser deposition (PLD)-grown barium stannate (BaSn$O_3$, BSO) thin films by precisely controlling the background oxygen pressure over a broad range from 0.0004 mbar to 0.13 mbar. The…

The three-dimensional topological semimetals represent a new quantum state of matter. Distinct from the surface state in the topological insulators that exhibits linear dispersion in two-dimensional momentum plane, the three-dimensional…

We report the first observation of a pressure-induced breakdown of the 3D-DSM state in Cd3As2, evidenced by a series of in-situ high-pressure synchrotron X-ray diffraction (XRD) and single crystal transport measurements. We find that Cd3As2…

Two-dimensional (2D) ferroelectric (FE) materials are promising compounds for next-generation nonvolatile memories, due to their low energy consumption and high endurance. Among them, {\alpha}-In$_{2}$Se$_{3}$ has drawn particular attention…

Two-dimensional (2D) ferromagnets (FMs) have attracted widespread attention due to their prospects in spintronic applications. Here we explore the electronic structure and magnetic properties of the bulk and monolayer of VBr$_{3}$ in the…

Two-dimensional polyaniline with a C3N stoichiometry, is a newly fabricated material that has expected to possess fascinating electronic, thermal, mechanical and chemical properties . The possibility of further tuning the C3N properties…

ReS$_2$ is considered as a promising candidate for novel electronic and sensor applications. The low crystal symmetry of the van der Waals compound ReS$_2$ leads to a highly anisotropic optical, vibrational, and transport behavior. However,…

The emergent properties of materials are defined by the symmetries of their underlying atomic, spin and charge order. The explorations of symmetry breaking effects are therefore usually limited by the intrinsic properties of known, stable…

When two identical two-dimensional (2D) periodic lattices are stacked in parallel after rotating one layer by a certain angle relative to the other layer, the resulting bilayer system can lose lattice periodicity completely and become a 2D…

Two-dimensional (2D) semiconductors are promising material candidates for next-generation nanoelectronics. However, there are fundamental challenges related to their metal-semiconductor (MS) contacts which limit the performance potential…