Related papers: Atomically flat two-dimensional silicon crystals w…
Lattice {\em Kirigami}, ultra-light metamaterials, poly-disperse aggregates, ceramic nano-lattices, and two-dimensional (2-D) atomic materials share an inherent structural discreteness, and their material properties evolve with their shape.…
Despite their extraordinary properties, electrides are still a relatively unexplored class of materials with only a few compounds grown experimentally. Especially for layered electrides, the current researches mainly focus on several…
The theoretical framework, which is built from the first-principles results, is successfully developed for investigating emergent two-dimensional (2D) materials, as it is clearly illustrated by carbon substitution in silicene. Computer…
We present a two-dimensional (2D) photonic crystal system for interacting with cold cesium (Cs) atoms. The band structures of the 2D photonic crystals are predicted to produce unconventional atom-light interaction behaviors, including…
Crystal defects, traditionally viewed as detrimental, are now being explored for quantum technology applications. This study focuses on stacking faults in silicon and germanium, forming hexagonal inclusions within the cubic crystal and…
In optoelectronics, achieving electrical reconfigurability is crucial as it enables the encoding, decoding, manipulating, and processing of information carried by light. In recent years, two-dimensional van der Waals (2-D vdW) materials…
The three dimensional (3D) Dirac semimetal, which has been predicted theoretically, is a new electronic state of matter. It can be viewed as 3D generalization of graphene, with a unique electronic structure in which conduction and valence…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…
Two-dimensional (2D) materials present an exciting opportunity for devices and systems beyond the von Neumann computing architecture paradigm due to their diversity of electronic structure, physical properties, and atomically-thin, van der…
Owing to the natural compatibility with current semiconductor industry, silicon allotropes with diverse structural and electronic properties provide promising platforms for the next-generation Si-based devices. After screening 230…
Recently-synthesised MoSi$_2$N$_4$ is the first septuple layer two-dimensional material, which doesn't naturally occurs as a layered crystal, and has been obtained with CVD growth. It can be considered as MoN$_2$ crystal (with a crystal…
To accelerate development of innovative materials, their modelings and predictions with useful functionalities are of vital importance. Here, based on a recently developed crystal structure prediction method, we find a new family of stable…
Quasicrystals, a fascinating class of materials with long-range but nonperiodic order, have revolutionized our understanding of solid-state physics due to their unique properties at the crossroads of long-range-ordered and disordered…
There has been an upsurge in the discovery of topological quantum materials, where various topological insulators and semimetals have been theoretically predicted and experimentally observed. However, only very few of them contains silicon,…
Two-dimensional (2D) semiconductors are widely recognized as attractive channel materials for low-power electronics. However, an unresolved challenge is the integration of high-quality, ultrathin high-\k{appa} dielectrics that fully meet…
Two dimensional (2D) crystal heterostructures are shown to possess a unique opportunity for novel THz nonlinear devices. In contrast to the oxide tunneling barrier, the uniformity of 2D insulators in the thickness control provides an ideal…
Two-dimensional (2D) materials have revolutionized all areas of development of high-performance electronic devices. In particular, the unique electronic and optical properties of II--VI semiconductor nanoplatelets have been found to be very…
Two-dimensional (2D) materials may exhibit intriguing band structure features (e.g., Dirac points), that lay far away from the Fermi level. They are, thus, not usable in applications. The semiconducting 2D material PC6 has two Dirac cones…
Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…
As transistor scaling approaches its fundamental physical limits in the Angstrom era, two-dimensional (2D) semiconductors have emerged as the promising channel material candidates for future computing. While the device physics of 2D…