相关论文: Single layer clathrane: A potential superconductin…
Two-dimensional (2D) materials as electrodes is believed to be the trend for future Li-ion and Na-ion batteries technologies. Here, by using first-principles methods, we predict that the recently reported borophene (2D born sheet) can serve…
In crystals, the duplication of atoms often follows different periodicity along different directions. It thus gives rise to the so called anisotropy, which is usually even more pronounced in two dimensional (2D) materials due to the absence…
A complex interplay between the crystal structure and electron behavior within borophene renders this material an intriguing 2D system with many of its electronic properties still undiscovered. Experimental insight into those properties is…
2D materials support unique excitations of quasi-particles that consist of a material excitation and photons called polaritons. Especially interesting are in-plane propagating polaritons which can be confined to a single monolayer and carry…
The discovery of graphene has spurred vigorous investigation of 2D materials, revealing a wide range of extraordinary properties and functionalities. 2D heterostructural materials have recently been fabricated by assembling isolated planes…
In our previous study, we have predicted the novel two-dimensional honeycomb monolayers of pnictogen. In particular, the structure and properties of the honeycomb monolayer of nitrogen, which we call nitrogene, are very unusual. In this…
Graphene is a promising material for the development of applications in nanoelectronic devices, but the lack of a band gap necessitates the search for ways to tune its electronic properties. In addition to doping, defects, and nanoribbons,…
In order to understand the unexpected superconducting behavior of MgB$_2$ compound we have made electronic structure calculations for MgB$_2$ and closely related systems. Our calculated Debye temperature from the elastic properties indicate…
We study the electronic transport properties of two-dimensional (2D) fully-hydrogenated borophene (namely, borophane), using the density functional theory and non-equilibrium Green's function approaches. Borophane shows a perfect electrical…
Pursuing higher-temperature superconductors under ambient pressure continues to be a prominent topic in materials discovery. Isomorphic structures like MgB2 exhibit potential for conventional BCS-type superconductivity, but their transition…
Unconventional superconductors exhibit multiple broken symmetries and exceed the range of the Bardeen-Cooper-Schrieffer (BCS) theory. For instance, time-reversal symmetry can be broken in addition to the gauge symmetry, resulting in…
Anisotropy is a general feature in materials. Strong anisotropy could lead to interesting physical properties and useful applications. Here, based on first-principles calculations and theoretical analysis, we predict a stable…
Thermoelectric effects enable the direct conversion between thermal and electrical energy and provide an alternative route for power generation and refrigeration. The clathrate Ba8Ga16Ge30 has the highest figure of merit (ZT ~ 1) among…
Recently a stable monolayer of antimony in buckled honeycomb structure called antimonene was successfully grown on 3D topological insulator Bi$_2$Te$_3$ and Sb$_2$Te$_3$, which displays semiconducting properties. By first principle…
The advent of two-dimensional (2D) crystals has led to numerous scientific breakthroughs. Conventional 2D systems have in-plane covalent bonds and a weak out-of-plane van-der-Waals bond. Here we report a new type of 2D material composed of…
The emergent phenomena such as superconductivity and topological phase transitions can be observed in strict two-dimensional crystalline matters. Artificial interfaces and one atomic thickness layers are typical 2D materials of this kind.…
Two-dimensional (2D) magnets have attracted significant attentions in recent years due to their importance in the research on both fundamental physics and spintronic applications. Here, we report the discovery of a new ternary compound…
We study the 1D model of conduction electrons interacting with local vibronic modes. States in the conduction band are two-fold degenerate both in orbital index and spin. It is shown that such 1D system has a strong tendency to…
The number of atomic layers confined in a two-dimensional structure is crucial for the electronic and magnetic properties. Single-layer and bilayer $J_{\rm eff} = 1/2$ square lattices are well-known examples where the presence of the extra…
Charge transfer from a metal substrate stabilizes honeycomb borophene, whose electron deficit would otherwise spoil the hexagonal order of a $\pi$-bonded 2D atomic network. However, the coupling between the substrate and the boron overlayer…