相关论文: Indirect-to-direct band gap crossover of single wa…
The vertical stacking of van der Waals (vdW) materials introduces a new degree of freedom to the research of two-dimensional (2D) systems. The interlayer coupling strongly influences the band structure of the heterostructures, resulting in…
Usually, in optical spectra of double-walled carbon nanotubes (DWCNTs) weak van der Waals coupling between the layers leads only to a small shift of transition energies with respect to their values in pristine single-walled nanotubes.…
The remarkable properties of layered materials such as MoS2 strongly depend on their dimensionality. Beyond manipulating their dimensions, it has been predicted that the electronic properties of MoS2 can also be tailored by carefully…
Two-dimensional (2D) semiconducting transition metal dichalcogenides such as MoS$_2$ have attracted extensive research interests for potential applications in optoelectronics, spintronics, photovoltaics, and catalysis. To harness the…
We study the anisotropic electronic properties of 2D SnS, an analogue of phosphorene, grown by physical vapor transport. With transmission electron microscope and polarized Raman spectroscopy, we identify the zigzag and armchair directions…
The electronic and magnetic properties of ZrS2 nanoribbons (NRs) are investigated based on the first-principles calculations. It is found that the ZrS2 NRs with armchair edges are all indirect-band-gap semiconductors without magnetism and…
Two-dimensional (2D) semiconductors have emerged as leading candidates for the development of low-power and multifunctional computing applications, thanks to their qualities such as layer-dependent band gap tunability, high carrier…
Using an ab initio density functional theory (DFT) based electronic structure method, we study the effects of adatoms on the electronic properties of monolayer transition metal dichalcogenide (TMD) Molybdenum-disulfide (MoS2). We consider…
Monolayer molybdenum disulfide (MoS$_2$) nanosheets, obtained via chemical vapor deposition onto SiO$_2$/Si substrates, are exploited to fabricate field-effect transistors with n-type conduction, high on/off ratio, steep subthreshold slope…
Monolayer Molybdenum disulfide (MoS2), a two-dimensional crystal with a direct bandgap, is a promising candidate for 2D nanoelectronic devices complementing graphene. There have been recent attempts to produce MoS2 layers via chemical and…
The quasiparticle band structure and optical properties of single-walled zigzag and armchair SiC nanotubes (SiC-NTs) as well as single SiC sheet are investigated by ab initio many-body calculations using the GW and the GW plus…
Two-dimensional transition-metal dichalcogendes $MX_2$ (es. MoS$_2$, WS$_2$, MoSe$_2$, \ldots) are among the most promising materials for bandgap engineering. Widely studied in these compounds, by means of ab-initio techniques, is the…
Large capacitance enhancement is useful for increasing the gate capacitance of field-effect transistors (FETs) to produce low-energy-consuming devices with improved gate controllability. We report strong capacitance enhancement effects in a…
The band structure and optical dielectric function $\epsilon$ of single-walled zigzag [(3,0),(4,0),(5,0),(6,0),(8,0),(9,0),(12,0),(16,0),(20,0),(24,0)], armchair [(3,3),(4,4),(5,5),(8,8),(12,12),(15,15)], and chiral…
Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have emerged as promising materials for electronic, optoelectronic, and valleytronic applications. Recent work suggests drastic changes of the band gap and exciton binding…
We calculate the torsional moduli of single-walled transition metal dichalcogenide (TMD) nanotubes using ab initio density functional theory (DFT). Specifically, considering forty-five select TMD nanotubes, we perform symmetry-adapted DFT…
Layered transition metal dichalcogenides (TMDs) offer many attractive features for next-generation low-dimensional device geometries. Due to the practical and fabrication challenges related to in situ methods, the atomistic dynamics that…
Recently, it was experimentally realized that 2D superconducting transition metal dichalcogenides (TMD) such as gated MoS$_2$ and monolayer NbSe$_2$ have in-plane upper critical magnetic fields much higher than the Pauli limit. This is due…
Molybdenum disulfide (MoS2) is a layered material of transition metal dichalcogenides (TMDCs) with a high refractive index in the visible and infrared spectral range. Therefore, by constructing MoS2 into dielectric nanoresonators, one can…
Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…