Related papers: Stacking-dependent energetics and electronic struc…
Combining first-principles calculations and tight-binding Hamiltonians, we study the stack-dependent behaviour of electronic and topological properties of layered antiferromagnet MnBi$_2$Te$_4$. Lateral shift of top septuple-layer greatly…
We theoretically study the electronic structure and spin properties of one-dimensional nanostructures of the prototypical bulk topological insulator Bi$_2$Se$_3$. Realistic models of experimentally observed Bi$_2$Se$_3$ nanowires and…
We report on microscopic tight-binding modeling of surface states in Bi$_2$Se$_3$ three-dimensional topological insulator, based on a sp$^3$ Slater-Koster Hamiltonian, with parameters calculated from density functional theory. The effect of…
Bi2Se3 is theoretically predicted1 2and experimentally observed2,3 to be a three dimensional topological insulator. For possible applications, it is important to understand the electronic structure of the planar device. In this work,…
Topological insulator (TI) represents an unconventional quantum phase of matter with insulating bulk bandgap and metallic surface states. Recent theoretical calculations and photoemission spectroscopy measurements show that Group V-VI…
Interfaces between exfoliated topological insulator Bi2Se3 and several transition metals deposited by sputtering were studied by XPS, SIMS, UPS and contact I-V measurements. Chemically clean interfaces can be achieved when coating Bi2Se3…
Three-dimensional (3-D) topological insulators (TI) are characterized by the presence of metallic surface states and a bulk band gap. Recently theoretical and experimental studies have shown an induced gap in the surface state bands of TI…
We use first-principles simulations to investigate the topological properties of Bi$_2$Se$_3$ thin films deposited on amorphous SiO2, Bi$_2$Se$_3$/a-SiO$_2$, which is a promising substrate for topological insulator (TI) based device…
High quality thin films of the topological insulator (Bi$_{0.4}$Sb$_{0.6}$)$_2$Te$_3$ have been deposited on SrTiO$_3$ (111) by molecular beam epitaxy. Their electronic structure was investigated by in situ angle-resolved photoemission…
Topological insulators are new class of quantum materials, which have insulating energy gaps in bulk, but exhibit gapless edge states or surface states that are protected by time-reversal symmetry at boundary. It was theoretically predicted…
Bi$_{2}$Se$_{3}$ is a topological insulator whose unique properties result from topological surface states (TSS) in the band gap. Low energy ion scattering can determine the properties of the outermost few atomic layers of a solid. The…
We show that a number of transport properties in topological insulator (TI) Bi2Se3 exhibit striking thickness-dependences over a range of up to five orders of thickness (3 nm - 170 \mu m). Volume carrier density decreased with thickness,…
Materials with ferroelectrically switchable topological properties are of interest for both fundamental physics and practical applications. Using first-principles calculations, we find that stacking ferroelectric $\alpha$-In$_2$Se$_3$…
Understanding the spin-texture behavior of boundary modes in ultrathin topological insulator films is critically essential for the design and fabrication of functional nano-devices. Here by using spin-resolved photoemission spectroscopy…
In the ultra-thin regime, Bi2Te3 films feature two surfaces (with each surface being a two-dimensional Dirac-fermion system) with complicated spin textures and a tunneling term between them. We find in this regime that the quasiparticle…
Stacking polymorphism is a common characteristic of van der Waals layered materials and can substantially modify their physical properties. Here, based on first-principles calculations combined with electron and phonon transport theories,…
We develop an accurate nanoelectronic modeling approach for realistic three-dimensional topological insulator nanostructures and investigate their low-energy surface-state spectrum. Starting from the commonly considered four-band…
Stacking variations in quasi-2D materials can have an important influence on material properties, such as changing the topology of the band structure. Unfortunately, the weakness of van der Waals interactions makes it difficult to compute…
We present a combined experimental and theoretical study of the surface vibrational modes of the topological insulator Bi$_2$Te$_3$. Using high-resolution helium-3 spin-echo spectroscopy we are able to resolve the acoustic phonon modes of…
Bi2Se3 and Bi2Te3 are layered compounds of technological importance, being excellent thermoelectric materials as well as topological insulators. We report density functional theory calculations of the atomic, electronic and thermoelectric…