Related papers: Surface electron band structure and VLEED reflecti…
Electronic structure of the 3x3 ordered-phase of a silicon (Si) layer on Al(111) has been studied by angle resolved photoemission spectroscopy (ARPES) technique using synchrotron radiation and modeled by a trial atomic model. A closed Fermi…
We investigate polyatomic ultralong-range Rydberg molecules consisting of three ground state atoms bound to a Rydberg atom via $s$- and $p$-wave interactions. By employing the finite basis set representation of the unperturbed Rydberg…
Materials with ring-shaped electronic bands are promising thermoelectric candidates, since their unusual dispersion shape is predicted to give large power factors. While previous calculations of these materials have relied on the assumption…
Motivated by the recent experimental evidence of commensurate surface charge density waves (CDW) in Pb/Ge(111) and Sn/Ge(111) sqrt{3}-adlayer structures, as well as by the insulating states found on K/Si(111):B and SiC(0001), we have…
Lack of inversion symmetry in metals breaks SU(2) symmetry which results in spin-splitting of the electronic states at the Fermi level due to various types of spin-orbit coupling (SOC) such as Dresselhaus, Rashba, or Ising (also called…
We report first-principles calculations of acoustic surface plasmons on the (0001) surface of Be, as obtained in the random-phase approximation of many-body theory. The energy dispersion of these collective excitations has been obtained…
We report electronic band structure calculations for Sr$_{4}$Ru$_{3}$O$_{10}$ that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find the ground state to be ferromagnetic in agreement with the…
The electronic structure of Sb(110) is studied by angle-resolved photoemission spectroscopy and first-principle calculations, revealing several electronic surface states in the projected bulk band gaps around the Fermi energy. The…
Weyl semimetal is a three-dimensional material with a conical spectrum near an even number of point nodes, where two bands touch each other. Here we study spectral properties of surface electron states in such a system. We show that the…
An accurate and efficient numerical simulation approach to electromagnetic wave scattering from two-dimensional, randomly rough, penetrable surfaces is presented. The use of the M\"uller equations and an impedance boundary condition for a…
In this exploratory lattice study, low-energy scattering of the $(D\bar{D}^{*})^\pm$ meson system is analyzed using lattice QCD with $N_f=2$ twisted mass fermion configurations with three pion mass values. The calculation is performed…
Wavepacket propagation calculations are reported for the interaction of a Rydberg hydrogen atom ($n=2-8)$ with Cu(111) and Cu(100) surfaces (represented by a Chulkov potential), in comparison with a Jellium surface. Both copper surfaces…
We investigate the process by which a water molecule diffuses on the surface of an Al(111) electrode under constant bias voltage by first-principles density functional theory. To understand the diffusion path of the water on the Al(111), we…
The electron dynamics of the topological surface state on Bi2Se3(111) is investigated by temperature-dependent angle-resolved photoemission. The electron-phonon coupling strength is determined in a spectral region for which only intraband…
Theoretically, various physical properties of AV$_{2}$O$_{4}$ (A=Zn, Cd and Mg) spinels have been extensively studied for last 15 years. Besides of this, no systematic comparative study has been done for these compounds, where the material…
Soft x-ray emission and absorption spectroscopy of the O K-edge are employed to investigate the electronic structure of wurtzite ZnO(0001). A quasiparticle band structure calculated within the GW approximation agrees well with the data,…
We use the exact analytical technique introduced in Phys. Rev. B 101, 115405 to recover the surface Green's functions and the corresponding Fermi-arc surface states for various lattice models of Weyl semimetals. For these models we use the…
Energies and wave functions of edge states in twodimensional electron gas are evaluated for a finite step potential barrier model. The spectrum, instead of smooth bending of Landau branches in the vicinity of the barrier acquires a steplike…
We report on the investigation of the atomic and electronic structures of a clean Si(331)-(12$\times$1) surface using a first-principles approach with both plane wave and strictly localized basis sets. Starting from the surface structure…
We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (110), and (100) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. Many of these metallic surfaces have technological or catalytic…