Related papers: Electronic Structures of CaAlSi with Different Sta…
Physical quilities such as electronic, mechanical, thermal, and optical properties of Al and P codoped silicene forming AlSi$_6$P nanosheets are investigated by first-principle calculations within density functional theory. A particular…
Motivated by the report of superconductivity in bilayer La$_3$Ni$_2$O$_7$ at high pressure, we examine the interacting electrons in this system. First-principles many-body theory is utilized to study the normal-state electronic properties.…
Interplay of superconductivity and density wave orders has been at the forefront of research of correlated electronic phases for a long time. 2H-NbSe$_2$ is considered to be a prototype system for studying this interplay, where the balance…
Most of the works devoted so far to the electronic band structure of multiwall nanotubes have been restricted to the case where the individual layers have the same helicity. By comparison, much less is known on the electronic properties of…
This work studies the effect of four different types of buffer layers on the structural and optical properties of InGaN layers grown on Si(111) substrates and their correlation with electrical characteristics. The vertical electrical…
Including on-site electronic interactions described by the multi-orbital Hubbard model we study the correlation effects in the electronic structure of bulk palladium. We use a combined density functional and dynamical mean field theory,…
A quasiparticle band structure of a single layer 2H-NbSe$_2$ is reported by using first-principles $GW$ calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape…
We present linear ensembles of dangling bond chains on a hydrogen terminated Si(100) surface, patterned in the closest spaced arrangement allowed by the surface lattice. Local density of states maps over a range of voltages extending…
The full set of high-energy spectroscopy measurements including X-ray photoelectron valence band spectra and soft X-ray emission valence band spectra of both components of FeSi (Fe K_beta_5, Fe L_alpha, Si K_beta_1,3 and Si L_2,3) are…
The optical properties of YNi$_2$B$_2$C are studied by using the first-principles full-potential linearized augmented plane wave (FLAPW) method within the local density approximation. Anisotropic behavior is obtained in the optical…
Motivated by the recently proposed alternating single-layer trilayer stacking structure for the nickelate La$_3$Ni$_2$O$_7$, we comprehensively study this system using {\it ab initio} and random-phase approximation techniques. Our analysis…
High-quality InAs quantum wells grown on InP are a promising platform for topological quantum information processing due to their large g-factor, strong Rashba spin-orbit interaction, and their compatibility with in-situ-deposited…
The evolution of the role of lattice vibrations in the formation of the pseudogap state in strongly correlated electron systems has been investigated concerning changes in the electron-phonon coupling parameters and the concentration of…
The electronic band structure of thin films and superlattices made of Heusler compounds with NiTiSn and NiZr$_{0.5}$Hf$_{0.5}$Sn composition was studied by means of polarization dependent hard x-ray photoelectron spectroscopy. The linear…
Based on first-principle FLAPW-GGA calculations, we have investigated the systematic trends in structural and electronic properties of a newly discovered group of ThCr2Si2-like arsenides: SrRu2As2, BaRu2As2, SrRh2As2 and BaRh2As2. Our…
The crystallographic stacking order in multilayer graphene plays an important role in determining its electronic structure. In trilayer graphene, rhombohedral stacking (ABC) is particularly intriguing, exhibiting a flat band with an…
We carry out a computational study on the geometric and electronic properties of multi-layers of silicene in different stacking configurations using a state-of-art abinitio density functional theory based calculations. In this work we…
We present results of self-consistent, full-potential electronic structure calculations for slabs of hexagonal graphite with stacking faults and for slabs with one displaced surface layer. There are two types of stacking faults, which…
The electronic band topology of monolayer $\beta$-Sb (antimonene) is studied from the flat honeycomb to the equilibrium buckled structure using first-principles calculations and analyzed using a tight-binding model and low energy…
The electronic structure of Au-Sn intermetallic layers of different compositions grown on Au(111) to the thickness of several nanometers has been studied in this work. The layer, interface and the substrate related components in the Au 4$f$…