相关论文: On the Atomic Structure of Two-Dimensional Materia…
2D Janus TMDC layers with broken mirror symmetry exhibit giant Rashba splitting and unique excitonic behavior. For their 1D counterparts, the Janus nanotubes possess curvature, which introduce an additional degree of freedom to break the…
Two-dimensional (2D) molybdenum disulfide (MoS2) holds great promise in electronic and optoelectronic applications owing to its unique structure and intriguing properties. The intrinsic defects such as sulfur vacancies (SVs) of MoS2…
Strain is an effective method to tune the electronic properties of two-dimension (2D) materials, and can induce novel phase transition. Recently, 2D $\mathrm{MA_2Z_4}$ family materials are of interest because of their emerging topological,…
Despite the rapid pace of computationally and experimentally discovering new two-dimensional layered materials, a general criteria for a given compound to prefer a layered structure over a non-layered one remains unclear. Articulating such…
Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship…
2D materials exhibiting in-plane anisotropy enable novel functionality in electronic, optoelectronic, and photonic devices, yet their availability is generally limited to naturally-occurring low-symmetry van der Waals compounds. Here, we…
Transition metal dichalcogenides and their derivatives offer a versatile platform for exploring novel structural and functional properties in low-dimensional materials. In particular, Janus monolayers possess an intrinsic out-of-plane…
Two-dimensional (2D) materials have garnered considerable attention as an emerging thermoelectric (TE) material owing to their unique density of state (DOS) near the Fermi level. We investigate the TE performance of Janus $\beta$-PdXY…
We predict enormous piezoelectric effects in intrinsic monolayer group IV monochalcogenides (MX, M=Sn or Ge, X=Se or S), including SnSe, SnS, GeSe and GeS. Using first-principle simulations based on the modern theory of polarization, we…
A brief review is given of some well-known and some very recent results obtained in studies of two- and three-dimensional (2D and 3D) solitons. Both zero-vorticity (fundamental) solitons and ones carrying vorticity S = 1 are considered.…
Using all atom molecular dynamics (MD) simulations, we have studied the mechanical properties of ZnS/CdS core/shell nanowires. Our results show that the coating of a few atomic layer CdS shell on the ZnS nanowire leads to a significant…
Understanding the interatomic bonding and electronic properties of two-dimensional (2D) materials is crucial for preparing high-performance 2D semiconductor materials. We have calculated the band structure, electronic properties, and…
We report the first detailed investigation of K$_2$MnS$_2$ and K$_2$MnSe$_2$ from the K$_2$MnS$_2$ structure type and their magnetic solid solution K$_2$MnS$_{2-x}$Se$_x$ and find that compounds of this structure type consist of…
Modification of physical properties of materials and design of materials with on-demand characteristics is at the heart of modern technology. Rare application relies on pure materials--most devices and technologies require careful design of…
A system of smooth "frozen" Janus-type disks is studied. Such disks cannot rotate and are divided by their diameter into two sides of different inelasticities. Taking as a reference a system of colored elastic disks, we find differences in…
At ambient pressure, bulk 2H-NbS$_2$ displays no charge density wave instability at odds with the isostructural and isoelectronic compounds 2H-NbSe$_2$, 2H-TaS$_2$ and 2H-TaSe$_2$, and in disagreement with harmonic calculations.…
Low dimensional material systems provide a unique set of properties useful for solid-state devices. The building block of these devices is the PN junction. In this work, we present a dramatic difference in the electrostatics of PN junctions…
Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are…
Two-dimensional (2D) materials family with its many members and different properties has recently drawn great attention. Thanks to their atomic thickness and smooth surface, 2D materials can be constructed into heterostructures or…
We systematically investigated the phonon and electron transport properties of monolayer InSe and its Janus derivatives including monolayer In2SSe and In2SeTe by first-principles calculations. The breaking of mirror symmetry produce a…