Related papers: Angstrom-wide conductive channels in black phospho…
We theoretically demonstrate that a dipole layer on the electrode can modulate the transmission properties of nanoscale devices by influencing the contact properties, through first principles simulations on carbon nanotube based field…
When doped into a certain range of charge carrier concentrations, MoS2 departs from its pristine semiconducting character to become a strongly correlated material characterized by exotic phenomena such as charge density waves or…
A method for 3D interpolation between hard spheres is described. The function to be interpolated could be the charge density between atoms in condensed matter. Its electrostatic potential is found analytically, and so are various integrals.…
Scanning tunneling spectroscopy of the high-Tc superconductor Bi2Sr2CaCu2O8+d reveals weak, incommensurate, spatial modulations in the tunneling conductance. Images of these energy-dependent modulations are Fourier analyzed to yield the…
The mechanical properties of single-layer black phosphrous under uniaxial deformation are investigated using first-principles calculations. Both Young's modulus and the ultimate strain are found to be highly anisotropic and nonlinear as a…
We have systematically investigated the structural property and electrical structures of the transition metal intercalated titanium disulfide compound Fe$_x$TiS$_2$ ($0\leq x\leq0.33$) from angle-resolved photoelectron spectroscopy with…
Current experimental and theoretical studies on the effect of intermolecular interactions on molecular conduction appear to be in conflict with each other. In particular, some experimental results, e.g., the observation of 2-dimensional…
The low formation energy of atomic vacancies in black phosphorus allows it to serve as an ideal prototypical system for exploring the dynamics of interlayer interstitial-vacancy (I-V) pairs (i.e. Frenkel defects) which account for Wigner…
The layered semiconductor black phosphorus has attracted attention as a 2D atomic crystal that can be prepared in ultra-thin layers for operation as field effect transistors. Despite the susceptibility of black phosphorus to…
Efficient estimators of Fourier-space statistics for large number of objects rely on Fast Fourier Transforms (FFTs), which are affected by aliasing from unresolved small scale modes due to the finite FFT grid. Aliasing takes the form of a…
Black phosphorus (BP) is an emerging two-dimensional semiconducting material with great potential for nanoelectronic and nanophotonic applications, especially owing to its unique anisotropic electrical and optical properties. Many…
Defects such as voids are observed at multiple length scales of an additively manufactured composite material. Modeling such defects and their multiscale interaction is crucial for the materials performance prediction. In this work, we…
We report on the electronic transport properties of black phosphorus and analyze them using a two-carrier model in a wide range of pressure up to 2.5 GPa. In semiconducting state at 0.29 GPa, the remarkable non-linear behavior in the Hall…
Graded Al-doped ZnO layers, constituted by a mesoporous forest like system evolving into a compact transparent conductor, were synthesized by Pulsed Laser Deposition with different morphology to study the correlation with functional…
Black phosphorus exhibits a high degree of band anisotropy. However, we found that its in-plane static screening remains relatively isotropic for momenta relevant to elastic long-range scattering processes. On the other hand, the collective…
Covalent-organic frameworks (COFs) are intriguing platforms for designing functional molecular materials. Here, we present a computational study based on van der Waals dispersion-corrected hybrid density functional theory calculations to…
A methodology is introduced that enables an absolute, quantum-limited measurement of sub-wavelength interferometric displacements. The technique utilizes a high-frequency optical path modulation within an interferometer operated in a…
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we…
We study the impact of Cu intercalation on the charge density wave (CDW) in 1T-Cu$_{\text{x}}$TiSe$_{\text{2}}$ by scanning tunneling microscopy and spectroscopy. Cu atoms, identified through density functional theory modeling, are found to…
Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…