Related papers: Newly synthesized Ti5Al2C3: Electronic and optical…
The structural and electronic properties of gold decorated Si(335) surface are studied by means of density-functional calculations. The resulting structural model indicates that the Au atoms substitute some of the Si atoms in the middle of…
The Thomas-Fermi-Dirac (TFD) approximation and an sp3d5s* tight binding method were used to calculate the electronic properties of a delta-doped phosphorus layer in silicon. This self-consistent model improves on the computational…
The metal-semiconductor-metal transition in dense lithium is considered as an archetype of interplay between interstitial electron localization and delocalization induced by compression, which leads to exotic electride phases. In this work,…
The performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid organic-inorganic perovskites formed from…
We have measured the reflectivity spectra of the iron based superconductor LiFeAs (Tc = 17.6 K) in the temperature range from 4 to 300 K. In the superconducting state (T < Tc), the clear opening of the optical absorption gap was observed…
First-principles calculations based on Density functional theory (DFT) and Heyd, Scuseria and Ernzerhof (HSE) adopt PBE approximation-a new version of the generalized gradient approximation (GGA). It has studied lattice parameter,…
We present for the first time the band structure calculation of $Bi_2Sr_2Ca_2Cu_3O_{10}$ compound in the tetragonal structure (space group $I4/mmm$). We used the Local Density Approximation (LDA) as in the Wien2k code. We analyze in detail…
The electronic structure of nanolaminate Ti2AlN and TiN thin films has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, N K, Al L1 and Al L2,3 emission spectra are compared with calculated spectra…
Tetragonal Mo5PB2 compound, a recently discovered superconductor, belongs to technologically important class of materials. It is quite surprising to note that a large number of physical properties of Mo5PB2, including elastic properties and…
Topological materials are of great interest because they can support metallic edge or surface states that are robust against perturbations, with the potential for technological applications. Here we experimentally explore the light-induced…
Various ternary chalcogenide systems and their properties are one of the hot topics for researchers nowadays. In this article, one of the ternary chalcogenide compounds, CdTl2Te4 is studied including its electronic structures and optical…
Two-dimensional Dirac materials with a flat band have been demonstrated to possess a plethora of unusual electronic properties, but the optical properties of these materials are less studied. Utilizing $\alpha$-$\mathcal{T}_3$ lattice as a…
A new superconductor (Na0.25K0.45)Ba3Bi4O12, having an A-site-ordered double perovskite structure, with a maximum Tc ~ 27 K has very recently been discovered through hydrothermal synthesis at 593 K. The structural, elastic, electronic, and…
The formation of ordered phases of dimethyl-disulfide on the Au(111) surface has been investigated by means of Low-Energy Electron Diffraction (LEED), X-ray Photoemission Spectroscopy (XPS), and state-of-the-art Density Functional Theory…
Three-dimensional topological insulators (TIs) attract much attention due to its topologically protected Dirac surface states. Doping into TIs or their proximity with normal superconductors can promote the realization of topological…
Lithium, a prototypical simple metal under ambient conditions, has a surprisingly rich phase diagram under pressure, taking up several structures with reduced symmetry, low coordination numbers, and even semiconducting character with…
Structure, optical and electronic properties of predicted stables Perovskites ABX3 are calculated using DFT approach. The modified Becke-Johnson potential is also used to investigate electrical and optical properties. The density of states…
Far-infrared diagonal and Hall conductivities of multilayer epitaxial graphene on the C-face of SiC were measured using magneto-optical absorption and Faraday rotation in magnetic fields up to 7 T and temperatures between 5 and 300 K.…
In recent years, researchers have manifested their interest in the two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite the…
We present an investigation on electronic structure of 1T-TiTe2 material via high-resolution angle-resolved photoemission spectroscopy (ARPES), utilizing tunable photon energy excitations. The typical semimetal-like electronic structure is…