Related papers: Antimonene/Bismuthene Vertical Van-der Waals Heter…
We report a detailed theoretical study of the structural, vibrational, and optical properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave…
The semimetallic Group V elements display a wealth of correlated electron phenomena due to a small indirect band overlap that leads to relatively small, but equal, numbers of holes and electrons at the Fermi energy with high mobility. Their…
Black phosphorene and its analogs have attracted intensive attention due to their unique puckered structures, anisotropic characteristics, and negative Poisson's ratio. The van der Waals heterostructures assembly by stacking different…
The transition-metal dichalcogenide (TMDC) in the family of $\mathrm{MX}_2$ ($\mathrm{M}=\mathrm{Mo},\mathrm{W}$; $\mathrm{X}=\mathrm{S},\mathrm{Se}$) and the graphene monolayer are atomically thin semiconductors and semimetal,…
The composition of Van-der-Waals heterostructures is conclusively determined using a hybrid evaluation scheme of data acquired by optical microspectroscopy. This scheme deploys a parameter set comprising both change in reflectance and…
We report the structural, mechanical, electronic, optical, thermoelectric properties and spectroscopic limited maximum efficiency (SLME) of oxide double perovskite structure Ba2SbNbO6 and Ba2SbTaO6 compounds. All the investigations were…
The synthesis and structural analysis of Mo/B periodical multilayer X-ray mirrors (PMMs) for beyond extreme ultraviolet (BEUV) optics was performed. The PMMs were deposited by a combination of pulsed DC and radio frequency (RF) magnetron…
The formation energies and transition energy levels of native defects in hexagonal BN have been studied by first-principles calculations based on hybrid density functional theory (DFT) together with an empirical dispersion correction of…
The properties of Van der Waals heterostructures are determined by the twist angle and the interface between adjacent layers as well as their polytype and stacking. Here we describe the use of spectroscopic Low Energy Electron Microscopy…
This study presents a first principles investigation of the structural, thermodynamic, electronic, optical and thermoelectric properties of aluminum antimonide (AlSb) in its cubic (F-43m) and hexagonal (P63mc) phases. Both structures are…
Recent advances in experimental techniques and computational methods have significantly expanded the family of alkali antimonides, a class of semiconducting materials used as photocathodes in particle accelerators, unveiling new crystal…
We employ here a picosecond ultrasonic technique to study Van der Waals heterostructures. Temporal variation of the reflection coefficient of the Al film that covers Van der Waals hBN/WSe$_2$/hBN heterostructures on a sapphire substrate…
Van der Waals heterostructures of (TMDL=1/BNL=1-4/TMDL=1/BNL=1-4), [TMD = MoS2, WS2, and ReS2] are grown on c-plane sapphire substrate by pulsed laser deposition under slow kinetic condition. The heterostructure systems show strong emission…
This study delves into the intricate electronic and optical behaviors of two-dimensional (2D) honeycomb materials, such as Stannen, arsenene, antimonene, silicene, and bismuthene(bismuth molecule), through the lens of first-principles…
In this study we investigated by means of density functional theory calculations the adsorption geometry and bonding mechanism of a single thymine (C$_5$H$_6$N$_2$O$_2$) molecule on Cu(110) surface. In the most stable energetic…
Surface enhanced Raman spectroscopy (SERS) is a precise and non-invasive analytical technique that is widely used in chemical analysis, environmental protection, food processing, pharmaceutics, and diagnostic biology. However, it is still a…
Combining single-layer two-dimensional semiconducting transition metal dichalcogenides (TMDs) with graphene layer in van der Waals heterostructures offers an intriguing means of controlling the electronic properties through these…
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…
First-principles methods have recently established themselves in the field of photocathode research to provide microscopic, quantum-mechanical characterization of relevant materials for electron sources. While most of the existing studies…
In this work, the electrical properties of bilayer Antimonene with different stacking orders are studied. Density functional theory with van der Waals (vdW) correction is used to investigate the electrical performances. Two configurations…