Related papers: The Sub-band Structure of Atomically Sharp Dopant …
Flat electronic bands enhance electron-electron interactions and give rise to correlated states such as unconventional superconductivity or fractional topological phases. However, most current efforts towards flat-band materials discovery…
We present our angle resolved photoelectron spectroscopy (ARPES) and density functional theory results on quaternary topological insulator (TI) BiSbTe1.25Se1.75 (BSTS) confirming the non-trivial topology of the surface state bands (SSBs) in…
Cu$_3$SbSe$_4$ is a promising thermoelectric material due to high thermopower ($>400\ \mu$V/K) at 300K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of…
Based on DFT calculations, we present the basic electronic structure of CuPb9(PO4)6O (Cu-doped lead apatite, LK-99), in two scenarios: (1) where the structure is constrained to the P3 symmetry and (2) where no symmetry is imposed. At the…
A unique attribute of atomically thin quantum materials is the in-situ tunability of their electronic band structure by externally controllable parameters like electrostatic doping, electric field, strain, electron interactions, and…
This work presents a combined analytical and simulation-based study of a 3D-integrated quantum chip architecture. We model a flip-chip-inspired structure by stacking two superconducting qubits fabricated on separate high-resistivity silicon…
Within the framework of the kinetic energy driven superconductivity, the electronic structure of bilayer cuprate superconductors in the superconducting state is studied. It is shown that the electron spectrum of bilayer cuprate…
The observations of quantum oscillations in overdoped cuprate superconductors were in agreement with a charge density contained in a cylindrical Fermi surface but the frequencies of lightly doped compounds were much smaller than expected.…
A key issue in the development of high-performance semiconductor devices is the ability to properly measure active dopants at the nanometer scale. 4D scanning transmission electron microscopy and off-axis electron holography have opened up…
Silicon (Si) is one of the most extensively studied materials owing to its significance to semiconductor science and technology. While efforts to find a new three-dimensional (3D) Si crystal with unusual properties have made some progress,…
Proposed silicon-based quantum-computer architectures have attracted attention because of their promise for scalability and their potential for synergetically utilizing the available resources associated with the existing Si technology…
It is difficult to intuit how electronic structure features$-$such as band gap magnitude, location of band extrema, effective masses, etc.$-$arise from the underlying crystal chemistry of a material. Here we present a strategy to distill…
We compare electronic structures of single FeSe layer films on SrTiO$_3$ substrate (FeSe/STO) and K$_x$Fe$_{2-y}$Se$_{2}$ superconductors obtained from extensive LDA and LDA+DMFT calculations with the results of ARPES experiments. It is…
Disorder in high entropy alloys, arising from the random distribution of multiple elements, plays a crucial role in their novel properties desirable for various advanced engineering applications. We investigate the role of compositional and…
Structural stability and electronic properties of alkaline-earth metals (Ca, Sr, Ba) induced Si(111)-3x2 surfaces have been comprehensively studied by means of ab initio calculations. Adsorption energy and charge density difference…
Doping of strongly layered ionic oxides is an established paradigm for creating novel electronic behavior. This is nowhere more apparent than in superconductivity, where doping gives rise to high temperature superconductivity in cuprates…
We present the findings of the superconductivity in the silicon nanostructures prepared by short time diffusion of boron after preliminary oxidation of the n-type Si (100) surface. These Si-based nanostructures represent the p-type high…
In Refs. [1,2] we have shown how a combination of modern linear-scaling DFT, together with a subsequent use of large, effective tight-binding Hamiltonians, allows to compute multifractal wave functions yielding the critical properties of…
The collective reorganization of electrons into a charge density wave has long served as a textbook example of an ordered phase in condensed matter physics. Two-dimensional square lattices with $p$ electrons are well-suited to the…
The recent discovery of a direct link between the sharp peak in the electron quasiparticle scattering rate of cuprate superconductors and the well-known peak-dip-hump structure in the electron quasiparticle excitation spectrum is calling…