相关论文: Defect-driven tunable electronic and optical prope…

A high power factor and low lattice thermal conductivity are two essential ingredients of highly efficient thermoelectric materials. Although monolayers of transition metal dichalcogenides possess high power factors, high lattice thermal…

Silicon carbide (SiC) displays a unique combination of optical and spin-related properties that make it interesting for photonics and quantum technologies. However, guiding light by total internal reflection can be difficult to achieve,…

By using first-principles calculations, we investigated the monolayer $ReS_2$ with vacancies under strain engineering, specifically focusing on its energy of formation, band gap, electron density of states, effective mass and optical…

Mechanical control of electronic and magnetic properties of 2D Van-der-Waals heterostructures gives new possibilities for further development of spintronics and information-related technologies. Using the density functional theory, we…

Among two-dimensional (2D) transition metal dichalcogenides (TMDs), platinum diselenide (PtSe2) stands at a unique place in the sense that it undergoes a phase transition from type-II Dirac semimetal to indirect-gap semiconductor as…

Spin defects in wide-bandgap semiconductors provide a promising platform to create qubits for quantum technologies. Their synthesis, however, presents considerable challenges, and the mechanisms responsible for their generation or…

Defects are inevitably present in two-dimensional (2D) materials and usually govern their various properties. Here a comprehensive density functional theory-based investigation of 7 kinds of point defects in a recently produced {\gamma}…

This study presents a comprehensive first-principles investigation of the structural, electronic and optical properties of monolayer \ch{Mo_{1-x}W_xS2} alloys, systematically exploring the full compositional range ($x=0$ to $1$) using…

The graphene-like two-dimensional (2D) silicon carbide or siligraphene has attracted remarkable attentions, owing to its fascinating physical properties. Nevertheless, the first high-quality siligraphene, i.e., monolayer Si9C15 was…

Silicon carbide (SiC) represents a promising but largely untested plasma-facing material (PFM) for next-step fusion devices. In this work, an analytic mixed-material erosion model is developed by calculating the physical (via SDTrimSP) and…

The recent discovery of color centers with optically addressable spin states in 3C silicon carbide (SiC) similar to the negatively charged nitrogen vacancy center in diamond has the potential to enable the integration of defect qubits into…

We study the geometric and electronic structures of silicene monolayer using density functional theory based calculations. The electronic structures of silicene show that it is a semi-metal and the charge carriers in silicene behave like…

Diamond silicon (Si) is the leading material in current solar cell market. However, diamond Si is an indirect band gap semiconductor with a large energy difference (2.4 eV) between the direct gap and the indirect gap, which makes it an…

An increasing number of two-dimensional (2D) materials have already been achieved experimentally or predicted theoretically, which have potential applications in nano- and opto-electronics. Various applications for electronic devices are…

The electronic properties of ultrathin crystals of molybdenum disulfide consisting of N = 1, 2, ... 6 S-Mo-S monolayers have been investigated by optical spectroscopy. Through characterization by absorption, photoluminescence, and…

Monolayer Molybdenum Disulfide (MoS2) with a direct band gap of 1.8 eV is a promising two-dimensional material with a potential to surpass graphene in next generation nanoelectronic applications. In this letter, we synthesize monolayer MoS2…

Silicon Carbide (SiC) has several advantageous properties compared to Silicon (Si) that make it an appealing detector material, such as a larger charge carrier saturation velocity, bandgap, and thermal conductivity. While the current…

Quasi free standing monolayer graphene (QFMLG) grown on SiC by selective Si evaporation from the Si-rich SiC(0001) face and H intercalation displays irregularities in STM and AFM analysis, appearing as localized features, which we…

We report the first observation of stable single photon sources in silicon carbide (SiC). These sources are extremely bright and operate at room temperature demonstrating that SiC is a viable material in which to realize various quantum…

Based on first-principles calculations, we have investigated the structural stability, electronic structures, and thermal properties of the monolayer XSi2N4 (X= Ti, Mo, W) and their lateral (LH) and vertical heterostructures (VH). We find…