Related papers: Tight-binding parametrization for the chromium nit…
Chromonic nematics are lyotropic liquid crystals that have already been known for half a century, but have only recently raised interest for their potential applications in life sciences. Determining elastic constants and anchoring…
We investigate one-dimensional harmonically trapped two-component systems for repulsive interaction strengths ranging from the non-interacting to the strongly interacting regime for Fermi-Fermi mixtures. A new and powerful mapping between…
Lattice-type structures can provide a combination of stiffness with light weight that is desirable in a variety of applications. Design optimization of these structures must rely on approximations of the governing physics to render solution…
Atomic models of quasi-one-dimensional 1D vanadium oxide nanostructures - nanotubes of various morphology (cylinder or scroll-like) formed by rolling (010) single layers of V2O5 are constructed and their electronic properties are studied…
In this article we have reproduced the tight binding $\pi$ band dispersion of graphene including upto third nearest neighbours and also calculated the partial density of states (due to $\pi$ band only) within the same model. The aim was to…
The frictional properties of individual carbon nanotubes (CNTs) are studied by sliding an atomic force microscopy tip across and along its principle axis. This direction-dependent frictional behavior is found to correlate strongly with the…
For the first time, this study shows that distortion in a crystal structure due to magnetic effect is possible in a lattice with extreme chemical disorder. The multicomponent equimolar transition metal oxide (ME TMO), (Co,Cu,Mg,Ni,Zn)O,…
Many of the important phases observed in twisted transition metal dichalcogenide homobilayers are driven by short-range interactions, which should be captured by a local tight binding description since no Wannier obstruction exists for…
We demonstrate the realization of topological band structures by exploiting the intrinsic spin-orbit coupling of dipolar interactions in combination with broken time-reversal symmetry. The system is based on polar molecules trapped in a…
Flat bands are of significant interest due to their potential for energy confinement and their ability to enable strongly correlated physics. Incorporating topology into flatband systems further enhances flatband mode robustness against…
Zero-dimensional nanocrystals, as obtained by chemical synthesis, offer a broad range of applications, as their spectrum and thus their excitation gap can be tailored by variation of their size. Additionally, nanocrystals of the type ABC…
The simplest tight-binding model is used to study lattice effects on two properties of doped graphene: i) magnetic orbital susceptibility and ii) regular Friedel oscillations, both suppressed in the usual Dirac cone approximation. i) An…
The electronic structure of nanolaminate Ti2AlN and TiN thin films has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, N K, Al L1 and Al L2,3 emission spectra are compared with calculated spectra…
We construct generalized Hofstadter models that possess "color-entangled" flat bands and study interacting many-body states in such bands. For a system with periodic boundary conditions and appropriate interactions, there exist gapped…
In this work, we propose a new and simple model that supports Chern semimetals. These new gapless topological phases share several properties with the Chern insulators like a well-defined Chern number associated to each band, topologically…
Nitrides, carbides and borides of transition metals are an attractive class of hard materials. Our recent preliminary explorations of the binary chemical compounds indicated that chromium-based materials are among the hardest transition…
Lithium niobate (LNO) and lithium tantalate (LTO) see widespread use in fundamental research and commercial technologies reaching from electronics over classical optics to integrated quantum communication. In recent years, the mixed crystal…
The exploration of quantum phenomena in complex materials such as moir\'e superlattices is limited by the O(N^3) scaling of conventional electronic structure methods. Here we introduce a high-performance tight-binding framework that reduces…
We discuss interplay between the high-twist (HT) terms in the operator-product expansion and the next-to-next-to-leading-order (NNLO) QCD corrections to the deep-inelastic-scattering structure functions in analysis of the high-precision…
The ab initio linear muffin-tin-orbital (LMTO) formalism and the semi-empirical method of the Intermediate Neglect of the Differential Overlap (INDO) based on the Hartree-Fock formalism are combined for the study of the hole polarons (a…