WebFor maximally localized Wannier functions (MLWF), the unitary transformation is chosen such that the spread of the resulting WF is minimized. The standard choice is to make a unitary transformation of the occupied bands only, thus resulting in as many WF as there are occupied bands. WebAccess options Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access.
Database of Wannier Tight-binding Hamiltonians …
Weblocalized Wannier functions (MLWFs) for the eg states of the prototypical Jahn–Teller magnetic perovskite LaMnO3 at different levels of approximation for the exchange–correlation kernel. These include conventional density functional theory (DFT) with and without the additional on-site Hubbard U term, hybrid DFT and partially self … WebHigh-quality Wannier functions; The Haldane model; Weyl semimetal; Topological insulators; Twisted bilayer graphene; Landau level spectrum; Theory. Tight-binding model; … shanghai first maternity hospital xujiahui
Phys. Rev. Lett. 125, 187402 (2024) - Second Harmonic …
WebApr 24, 2024 · Figure 7. Chern index for connected groups of slab Wannier bands of the pyrochlore model, plotted as a function of their average positions z ¯ ′.Red and blue markers correspond to groups with integer and half-integer z ¯ ′ / c ′, respectively.We consider slabs with a thickness of 10 unit cells along (111) in (a) the trivial phase of Fig. 6, and (b) the … WebFeb 23, 2024 · The goal is to exact band structure from wannier90 package. The initial projection for wannier90 is essential, so I used Random initial projections to obtain the wannier functions. But the... Wannier functions are often used to interpolate bandstructures calculated ab initio on a coarse grid of k-points to any arbitrary k-point. This is particularly useful for evaluation of Brillouin-zone integrals on dense grids and searching of Weyl points, and also taking derivatives in the k-space. This approach is similar in spirit to the tight binding approximation, but in contrast allows for an exact description of bands in a certain energy range. Wannier interpolation schemes have been … shanghai first maternity hospital