Related papers: Quasiparticle level alignment for photocatalytic i…
We present a unified theoretical and computational framework that bridges mathematical quasiperiodicity with classical crystallographic models. Based on a rigorous cut-and-projection construction, the proposed proximal coincidence point set…
A number of tools have been developed to detect topological phase transitions in strongly correlated quantum systems. They apply under different conditions, but do not cover the full range of many-body models. It is hence desirable to…
The quasiparticle (QP) energies, which are minus of the energies required by removing or produced by adding one electron from/to the system, corresponding to the photoemission or inverse photoemission (PE/IPE) spectra, are determined…
Heterostructures are ubiquitous in many optoelectronic devices and as photocatalysts. One of the key features of a heterojunction is the proper band alignment between the two materials. Estimation of the correct relative band positions with…
Quasiparticle states near the surface of a quasi-one-dimensional organic superconductor $({TMTSF})_{2}{PF}_6$ are studied based on an extended Hubbard model on a quasi-one dimensional lattice at quarter-filling. Three types of pairing…
Scanning tunneling microscopy visualizations of quasiparticle interference (QPI) enable powerful insights into the k-space properties of superconducting, topological, Rashba and other exotic electronic phases, but their reliance on…
Atomic and electronic structures of TiO_2(110) surface with possible adsorptional, substitutional and interstitial Au or Pt elemental impurities at full and one-sixth monolayer concentrations were investigated by density functional theory…
We report on the results of a high-resolution angle-resolved photoemission (ARPES) study on the ordered surface alloy CePt5. The temperature dependence of the spectra show the formation of the coherent low-energy heavy-fermion band near the…
Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on…
Entanglement between solid-state quantum emitters (QEs) is a key resource for photonic quantum technologies. Achieving such entanglement requires strong and controllable long-range interactions between QEs. However, engineering such…
We study leading-order many-body effects of longitudinal optical (LO) phonons on electronic properties of one-dimensional quantum wire systems. We calculate the quasiparticle properties of a weakly polar one dimensional electron gas in the…
We combine quasiparticle interference simulation (theory) and atomic resolution scanning tunneling spectro-microscopy (experiment) to visualize the interference patterns on a type-II Weyl semimetal Mo$_{x}$W$_{1-x}$Te$_2$ for the first…
The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction for the transport energy gaps associated with both…
The $GW$ approximation is a widely used method for computing electron addition and removal energies of molecules and solids. The computational effort of conventional $GW$ algorithms increases as $O(N^4)$ with the system size $N$, hindering…
This article presents a thorough comparison of themain QPM techniques, focusing on their accuracy in terms of measurement precision and trueness. We focus on 8 techniques, namely digital holographic microscopy (DHM), cross-grating wavefront…
In the framework of quantum thermodynamics, we propose a method to quantitatively describe thermodynamic quantities for out-of-equilibrium interacting many-body systems. The method is articulated in various approximation protocols which…
Freestanding oxide films offer significant potential for integrating exotic quantum functionalities with semiconductor technologies. However, their performance is critically limited by surface roughness and interfacial imperfection caused…
We benchmark many-body perturbation theory against density functional theory (DFT) for the band gaps of solids. We systematically compare four $GW$ variants $-$ $G_{0}W_{0}$ using the Godby-Needs plasmon-pole approximation…
Dynamical quasiparticle properties are determined from lattice QCD along the line of the Peshier model for the running strong coupling constant in case of three light flavors. By separating time-like and space-like quantities in the number…
High quality-factor (Q) resonant metasurfaces have attracted significant attention due to their potential applications in cutting-edge fields of optics. However, limited by intrinsic dissipation losses, achieving both an extremely high Q…