相关论文: Electronic Band Structures of Pristine and Chemica…

Formation of localized impurity levels within the band gap in bigraphene under applied electric field is considered and the conditions for their collectivization at finite impurity concentration are established. It is shown that a…

Ferromagnetic van der Waals (vdW) insulators are of great scientific interest for their promising applications in spintronics. It has been indicated that in the two materials within this class, CrI$_3$ and VI$_3$, the magnetic ground state,…

We study the relationship between the shape of the electronic band structure and the thermoelectric properties. In order to study the band shape dependence of the thermoelectric properties generally, we first adopt models with band…

The electronic structures of the ferromagnetic superconductors $\mathrm{UGe}_2$ and $\mathrm{UCoGe}$ in the paramagnetic phase were studied by angle-resolved photoelectron spectroscopy using soft X-rays ($h\nu =400-500$). The quasi-particle…

We perform first-principles calculations to investigate the band structure, density of states, optical absorption, and the imaginary part of dielectric function of Cu, Ag, and Au-doped anatase TiO2 in 72 atoms systems. The electronic…

The microstrip of modulated width is a realization of a one-dimensional photonic crystal operating in the microwave regime. Like any photonic crystal, the periodic microstrip is characterised by the presence of frequency bands and band gaps…

Artificial electronic lattices, created atom by atom in a scanning tunneling microscope, have emerged as a highly tunable platform to realize and characterize the lowest-energy bands of novel lattice geometries. Here, we show that…

We investigate the tunable vibration filtering properties of one-dimensional diatomic granular crystals composed of arrays of stainless steel spheres and cylinders interacting via Hertzian contact. The arrays consist of periodically…

Motivated by the recent synthesis of single layer TiSe2 , we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair- edged nanoribbons of this material.…

We report the first detection of the 5705 and 5780 A Diffuse Interstellar Bands (DIBs) in a moderate redshift Damped Lyman alpha (DLA) system. We measure a rest frame equivalent width of 63.2 +- 8.7 mA for the 5705 and 216+-9 mA for the…

Periodicity is usually assumed to be the necessary and sufficient condition for the formation of band gaps, i.e., energy bands with a suppressed density of states. Here, we check this premise by analyzing the band gap properties of three…

Ti2O3 exhibits a unique metal-insulator transition (MIT) at approximately 450 K over a wide temperature range of ~ 150 K. This broad MIT accompanied by lattice deformation differs from the sharp MITs observed in most other transition-metal…

We report the compositional dependence of the electronic band structure for a range of III-V alloys. Density functional theory with the PBE functional is insufficient to mimic the electronic gap energies at different symmetry points of the…

Phase-change materials are ubiquitous in technology because of their ability to transition between amorphous and crystalline phases fast and reversibly, upon shining light or passing a current. Here we argue that to fully understand their…

Controlling the electronic structure of two-dimensional materials using the combination of twist angle and electrostatic doping is an effective means to induce emergent phenomena. In bilayer graphene with an interlayer twist angle near the…

In this Letter, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed…

The modification of the quantum states in a Dice lattice due to a Coulomb impurity are investigated. The energy band structure of a pristine Dice lattice consists of a Dirac cone and a flat band at the Dirac point. We use the tight binding…

The band gap of a semiconducting single wall carbon nanotube decreases and eventually vanishes leading to metalization as a result of increasing radial deformation. This sets in a band offset between the undeformed and deformed regions of a…

We present an angle-resolved photoemission spectroscopy study of the electronic structure of SnTe, and compare the experimental results to ab initio band structure calculations as well as a simplified tight-binding model of the p-bands. Our…

The electronic properties of solids are determined by the crystal structure and interactions between electrons, giving rise to a variety of collective phenomena including superconductivity, strange metals and correlated insulators. The…