Related papers: Electronic Structures of CaAlSi with Different Sta…
We report first-principles results on the electronic structure of various silicene structures. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a significant renormalization of their Fermi velocity by…
A scattering method is used to calculate the surface band structure of Al(111) from 8.6 eV below the Fermi level to 9 eV above it. This method has rarely been implemented previously. The complete complex bulk and surface band structure is…
The effect of strong anisotropy on the Fermi line of a system of correlated electrons is studied in two space dimensions, using renormalization group techniques. Inflection points change the scaling exponents of the couplings, enhancing the…
The electronic band structure of crystals is generally influenced by the periodic arrangement of their constituent atoms. Specifically, the emerging two-dimensional (2D) layered structures have shown different band structures with respect…
We investigate the influence of slab thickness on the electronic structure of the Si(100)-p(2x2) surface in density functional theory (DFT) calculations, considering both density of states and band structure. Our calculations, with slab…
We have carried out detailed high resolution ARPES measurements and band structure calculations to study the electronic structure of CaMnSb$_{2}$. The observed Fermi surface mainly consists of one hole pocket around ${\Gamma}$ point and one…
Structural stability and electronic properties of alkaline-earth metals (Ca, Sr, Ba) induced Si(111)-3x2 surfaces have been comprehensively studied by means of ab initio calculations. Adsorption energy and charge density difference…
Here, our angle resolved photoemission spectroscopy experiment reveled that the surface band structure of the 1T-VSe2 host electronic states that was not predicted or probed before. Earlier claims to support charge density wave phase can be…
We examine the structural properties of free standing II-VI and III-V semiconductors at the monolayer limit within first principle density functional theory calculations. A non-polar buckled structure was found to be favoured over a polar…
Using Kohn-Sham wave functions and their energy levels obtained by density-functional-theory total-energy calculations, the electronic structure of the two c(2x2) phases of Na on Al(001) are analysed; namely, the metastable hollow-site…
Misfit compounds are thermodynamically stable stacks of two-dimensional materials, forming a three-dimensional structure that remains incommensurate in one direction parallel to the layers. As a consequence, no true bonding is expected…
Recently, new FeAs based high-temperature superconductors CaAFe4As4 (A=K, Rb, Cs) with a layered tetragonal crystal structure were synthesized (TC ~ 30 K). In this Letter, we report for the first time the band structures, Fermi surface…
Most recent observation of topological Fermi arcs on the surface of manyfold degenerate B20 systems, CoSi and RhSi, have attracted enormous research interests. Although an another isostructural system, FeSi, has been predicted to show bulk…
Stacking geometry in multilayer graphene (MLG) provides an interesting degree of freedom to engineer its electronic structure near the Fermi level, wherein the linear bands in single layer graphene could retain or evolve into parabolic or…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
Oscillations of the real component of AC conductivity $\sigma_1$ in a magnetic field were measured in the n-AlGaAs/GaAs structure with a wide (75 nm) quantum well by contactless acoustic methods at $T$=(20-500)~mK. In a wide quantum well,…
Silicene is becoming one of the most important two-dimensional materials. In this work, EEL Spectra were calculated for alfa-silicene (flat), and beta-silicene (low-buckled, and theoretically the most stable). Band structures were…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and…
Crystalline semimetals with certain space group symmetries may possess unusual electronic structure topology, distinct from the conventional Weyl and Dirac semimetals. Characteristic property of these materials is the existence of…
The electronic structure of some low index surfaces for martensitic B19'-TiNi and B19-TiPd were investigated using the full-potential linearized augmented plane wave method. The alteration of the electronic structure upon martensitic…