Related papers: Isolated highly localized bands in $\mathrm{YbI_2}…
Two common difficulties in the design of topological quantum materials are that the desired features lie too far from the Fermi level and are spread over a too-large energy range. Doping-induced states at the Fermi level provide a solution,…
We theoretically show that two distinctive spin textures manifest themselves around saddle points of energy bands in a monolayer NbSe$_2$ under external gate potentials. While the density of states at all saddle points diverge…
We propose two complementary design principles for engineering three-dimensional (3D) Weyl semimetals and superconductors in a layer-by-layer setup which includes even and odd parity orbitals in alternating layers - dubbed orbital selective…
Zintl compounds have been extensively studied for their outstanding thermoelectric properties, but their electronic structure remains largely unexplored. Here, we present a detailed investigation of the electronic structure of the…
In multiorbital materials, superconductivity can exhibit new exotic forms that include several coupled condensates. In this context, quantum confinement in two-dimensional superconducting oxide interfaces offers new degrees of freedom to…
The saddle point (van Hove singularity) exhibits a divergent density of states in 2D systems, leading to fascinating phenomena like strong correlations and unconventional superconductivity, yet it is seldom observed in 3D systems. In this…
Though most fermionic Mott insulators order at low temperatures, ordering is ancillary to their insulating behaviour. Our emphasis here is on disentangling ordering from the intrinsic strongly correlated physics of a doped half-filled band.…
The search for large band gap systems with dissipationless edge states is essential to developing materials that function under a wide range of temperatures. Two-dimensional (2D) topological insulators (TIs) have recently attracted…
Although multilayer systems possess global inversion symmetry, some of the layers lack local inversion symmetry because no global inversion centers are present on such layers. Such locally non-centrosymmetric systems exhibit spatially…
Rubidium adsorption on the surface of the topological insulator Bi$_2$Se$_3$ is found to induce a strong downward band bending, leading to the appearance of a quantum-confined two dimensional electron gas states (2DEGs) in the conduction…
In this paper we consider the phonons in monolayer graphene and we show the possibility for the spin-triplet superconducting excitations states by discretizing the single-particle excitations near Fermi wave vector. The molonayer graphene…
The rich variety of iron-based superconductors and their complex electronic structure lead to a wide range of possibilities for gap symmetry and pairing components. Here we solve in the 2-Fe Brillouin zone the full frequency-dependent…
We introduce and investigate an effective five-band model for $t_{2g}$ and $e_g$ electrons to describe doped cobalt oxides with Co$^{3+}$ and Co$^{4+}$ ions in two-dimensional CoO$_2$ triangular lattice layers, as in Na$_{1-x}$CoO$_2$. The…
In this study, we use DFT calculations to investigate the electronic and structural properties of MoX$_2$ (X = S, Se, Te) monolayers doped with substitutional Sb atoms, with a central focus on the Sb(Mo) substitution. In MoS$_2$, we observe…
We present a bunch of novel phenomena stemming from the pair spin-orbit interaction (PSOI), which does not rely on structure inversion asymmetry but instead arises from Coulomb fields of interacting electrons in materials with a strong…
In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…
Two-dimensional (2D) topological crystalline insulators (TCIs) were recently predicted in thin films of the SnTe class of IV-VI semiconductors, which can host metallic edge states protected by mirror symmetry. As thickness decreases,…
Recent angle-resolved photoemission spectroscopy measurements of Co-doped LiFeAs report a large and robust superconducting gap on the $\Gamma$-centered hole band that lies 8 meV below the Fermi level. We show that, unlike a conventional…
Flat band materials such as the kagome metals or moir\'e superlattice systems are of intense current interest. Flat bands can result from the electron motion on numerous (special) lattices and usually exhibit topological properties. Their…
Graphene is a promising material for the development of applications in nanoelectronic devices, but the lack of a band gap necessitates the search for ways to tune its electronic properties. In addition to doping, defects, and nanoribbons,…