Related papers: Does Topology Enhance Thermoelectric Efficiency? A…
This paper reveals how electronic, magnetic structure and topological phase of 2D, single-layer structures of bismuth are modified by point defects. We first showed that free standing, single-layer, hexagonal structure of bismuth, named as…
Improving the thermoelectric figure of merit zT is one of the greatest challenges in material science. Recent discovery of topological insulators (TIs) offers new promise in this prospect. In this work, we demonstrate theoretically that zT…
The electronic band structure of Bi is calculated using state of the art electronic structure methods, including density functional theory and G$_0$W$_0$ quasiparticle approximations. The delicate ordering of states at the L point of the…
In topological n-type thermoelectrics based on $Bi_{2}Te_{3}$ with atomic substitutions Bi $\rightarrow$ In, Te $\rightarrow$ Se, S, the morphology and the surface states of Dirac fermions on the interlayer (0001) surface of van der Waals…
In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds…
We investigate the structure and electronic spectra properties of two-dimensional amorphous bismuthene structures and show that these systems are topological insulators. We employ realistic modeling of amorphous geometries together with…
We investigate the energy band structure and energy levels of graphene with staggered intrinsic spin-orbit coupling and in-plane Zeeman fields. Our study demonstrates that staggered intrinsic spin-orbit coupling induces bulk band crossover…
Cd$_3$As$_2$ is one of the prototypical topological Dirac semimetals. Here, we manipulate the band inversion responsible for the emergence of Dirac nodes by alloying Cd$_3$As$_2$ with topologically trivial Zn$_3$As$_2$. We observe the…
We examine the properties of edge states in a two-dimensional topological insulator. Based on the Kane-Mele model, we derive two coupled equations for the energy and the effective width of edge states at a given momentum in a semi-infinite…
Topological edge modes are excitations that are localized at the materials' edges and yet are characterized by a topological invariant defined in the bulk. Such bulk-edge correspondence has enabled the creation of robust electronic,…
The thermoelectric response of 80-nm-thick strained HgTe films of a three-dimensional topological insulator (3D TI) has been studied experimentally. An ambipolar thermopower is observed where the Fermi energy moves from conducting to the…
We study the relationship between the shape of the electronic band structure and the thermoelectric properties. In order to study the band shape dependence of the thermoelectric properties generally, we first adopt models with band…
We report a transport, thermodynamic, and spectroscopic study of the recently identified topological semiconductor ZrTe$_5$ with a focus on elucidating the connections between its band structure and unusual thermoelectric properties. Using…
The intertwined ferroelectricity and band topology will enable the non-volatile control of the topological states, which is of importance for nanoelectrics with low energy costing and high response speed. Nonetheless, the principle to…
We perform first-principles calculations of electronic and dielectric properties of bismuthene functionalized with small ligands using first-principle calculations. We show that all functionalized structures have topological insulating (TI)…
The interplay between band topology and light in condensed materials could unlock intriguing nonlinear optical phenomena, enabling modern photonic technologies such as quantum light sources and sub-wavelength topological lasers. Here, we…
Topological states emerge at the boundary of solids as a consequence of the nontrivial topology of the bulk. Recently, theory predicts a topological edge state on single layer transition metal dichalcogenides with 1T' structure. However,…
Unlike the edge state of a topological insulator where its energy level lives in the bulk energy gap, the edge state of a topological semimetal hides in the bulk spectrum and is difficult to be identified by the energy. We investigate the…
We study how topological phases evolve in the Kane-Mele-Kondo lattice at finite temperatures and obtain the topological Doniach phase diagram. In particular, we find an intriguing crossover behavior induced by the interplay between the…
Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics through a reduction of the lattice thermal conductivity…