Related papers: Predicting Stable Phase Monolayer Mo$_2$C (MXene),…
Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D…
Properties of layered superconductors can vary drastically when thinned down from bulk to monolayer, owing to the reduced dimensionality and weakened interlayer coupling. In transition metal dichalcogenides (TMDs), the inherent symmetry…
Electrical and thermal properties of atomically thin two-dimensional (2D) materials are affected by their environment, e.g. through remote phonon scattering or dielectric screening. However, while it is known that mobility and thermal…
To explore underlying mechanism for the superconducting phase in recent discovered aromatic hydrocarbons, we carry out the first-principles calculations on benzene, the basic and the simplest unit of the series and examine the structural…
Layered molybdenum dichalchogenides are semiconductors whose gap is controlled by delicate interlayer interactions. The gap tends to drop together with the interlayer distance, suggesting collapse and metallization under pressure. We…
Superconductivity is observed with critical temperatures near 9K in the tetragonal compound Mo5PB2. This material adopts the Cr5B3 structure type common to supercondcuting Nb5Si3-xBx, Mo5SiB2, and W5SiB2, which have critical temperatures of…
The properties of two-dimensional (2D) materials have been extensively studied and applied in various applications. Our interest is to theoretically investigate the thermal transport and thermoelectric properties of the 2D transition metal…
Two-dimensional (2D) materials are a new class of materials with interesting physical properties and ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of other layered…
We present a systematic investigation of superconductivity in a topological superconductor candidate $T_{\rm d}$-MoTe$_2$ in the few-layer limit. By examining multiple mechanically exfoliated samples with different thicknesses, substrates…
MXene transition-metal carbides and nitrides are of growing interest for energy storage applications. These compounds are especially promising for use as pseudocapacitive electrodes due to their ability to convert energy electrochemically…
A high-throughput screening using density functional calculations is performed to search for stable boride superconductors from the existing materials database. The workflow employs the fast frozen phonon method as the descriptor to…
The transition metal carbide Sc3CoC4 consists of a quasi-one-dimensional (1D) structure with [CoC4]$_{\inft}$ polyanionic chains embedded in a scandium matrix. At ambient temperatures Sc3CoC4 displays metallic behavior. At lower…
Two-dimensional boron structures, due to the diversity of properties, attract great attention because of their potential applications in nanoelectronic devices. A series of \ce{TiB_x} ($4\leq x \leq 11$) monolayers are efficiently…
Semiconducting monolayer of 2D material are able to concatenate multiple interesting properties into a single component. Here, by combining opto-mechanical and electronic measurements, we demonstrate the presence of a partial 2H-1T phase…
The superconductor YB6 has the second highest critical temperature Tc among the boride family MBn. We report measurements of the specific heat, resistivity, magnetic susceptibility and thermal expansion from 2 to 300 K, using a single…
The search for a superconductor with non-s-wave pairing is important not only for understanding unconventional mechanisms of superconductivity but also for finding new types of quasiparticles such as Majorana bound states. Materials with…
This letter reports the unexpectedly strong electron-phonon coupling (EPC) and the highest $T_c$ record ($\approx$ 38 K) among the MXenes revealed in the 2H-Mo$_2$N under biaxial stress. At first, its excellent mechanical properties are…
Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is…
The electrical conductivity and Raman spectroscopy measurements have been performed on MoS$_2$ at high pressures up to 90 GPa and variable temperatures down to 5 K. We find that the temperature dependence of the resistance in a metallic…
2H phase (trigonal prismatic D3h) of layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted a lot of interests due to the superior electronic and optoelectronic properties. However, flexible electronic devices…