Related papers: Zigzag equilibrium structure in monatomic wires
Materials with kagome lattice have attracted significant research attention due to their nontrivial features in energy bands. In this work, we theoretically investigate the evolution of electronic band structures of kagome lattice in…
The electric-current stabilized semi-metallic state in the quasi-two-dimensional Mott insulator Ca$_2$RuO$_4$ exhibits an exceptionally strong diamagnetism. Through a comprehensive study using neutron and X-ray diffraction, we show that…
We study the structural, electronic, and magnetic properties of Co$_2$ZAl compounds employing a pseudopotential electronic bandstructure method. The stability of the compounds is established through the formation and cohesive energy…
A density functional theory study of the structural and electronic properties and relative stability of narrow SP3 silicon nanotubes of different growth orientations is presented. All nanotubes studied and their corresponding wire…
We have prepared samples of nominal type Ba(8)Cu(x)Ge(46-x) by induction melting and solid state reaction. Analysis shows that these materials form type-I clathrates, with copper content between x = 4.9 and 5.3, nearly independent of the…
A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid),…
Honeycomb structure has been frequently observed in two-dimensional (2D) materials. CuAu in the buckled honeycomb (BHC) structure has been synthesized recently, which is the first case of 2D intermetallic compounds. Here, the dynamical…
Persistent currents and transport properties are investigated for the nano-graphite ribbons with zigzag shaped edges with paying attention to system length $L$ dependence. It is found that both the persistent current in the isolated ring…
We consider quantum wire arrays consisting of GaAs rods embedded in Al$_{x}$Ga$_{1-x}$As and disposed in sites of a square or triangular lattice. The electronic and hole spectra around the conduction band bottom and the valence band top are…
We study electronic and topographic properties of the vicinal Si(557)-Au surface using scanning tunneling microscopy and reflection of high energy electron diffraction technique. STM data reveal double wire structures along terraces.…
We report on first-principles calculations of multilayers of zinc-blende half-metallic ferromagnets CrAs and CrSb with III-V and II-VI semiconductors, in the [001] orientation. We examine the ideal and tetragonalised structures, as well as…
We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba,K)(Zn,Mn)$_2$As$_2$ through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total…
Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…
We present results of ab initio theoretical investigations of the excitation spectra of correlated electrons in metals (Al, K, and Li) and their interplay with inelastic scattering experiments. We resolve various anomalies contained in the…
We investigate the stability of the electroweak Z-string at high temperatures. Our results show that while finite temperature corrections can improve the stability of the Z-string, their effect is not strong enough to stabilize the Z-string…
Motivated by recent experimental evidence of charge order in the pseudogap phase of cuprates, we perform a variational analysis of charge-neutral, spin-singlet ordering in metals on the square lattice, using a wavefunction with double…
We investigate, by means of first-principles calculations, structural and transport properties of junctions made of symmetric dithiolated molecules placed between Au electrodes. As the electrodes are pulled apart, we find that it becomes…
We study electron transport in quasi-one-dimensional wires at relatively weak electrostatic confinements, where the Coulomb interaction distorts the ground state, leading to the bifurcation of the electronic system into two rows. Evidence…
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…
We have studied the effect of thermal effects on the structural and transport response of Ag atomic-size nanowires generated by mechanical elongation. Our study involves both time-resolved atomic resolution transmission electron microscopy…