Silicon Surface with Giant Spin Splitting

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The detection of inelastically scattered soft x-rays with high energy resolution usually requires large grating spectrometers. Recently, photoelectron spectrometry for analysis of x-rays (PAX) has been rediscovered for modern spectroscopy experiments at sy ...

Using ultrafast broad-band transient absorption (TA) spectroscopy of photoexcited MAPbBr3 thin films with probe continua in the visible and the mid- to deep-ultraviolet (UV) ranges, we capture the ultrafast renormalization at the fundamental gap at the R s ...

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

Growing polymers inside porous metal-organic frameworks (MOFs) can allow incoming guests to access the backbone of otherwise non-porous polymers, boosting the number and/or strength of available adsorption sites inside the porous support. In the present wo ...

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

Recent neutron-diffraction experiments in honeycomb CrI3 quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence of this gap has been attributed to strong in-plane Dzyaloshinskii-Moriya or Kita ...

Two-dimensional dopant layers (δ-layers) in semiconductors provide the high-mobility electron liquids (2DELs) needed for nanoscale quantum-electronic devices. Key parameters such as carrier densities, effective masses, and confinement thicknesses for 2DELs ...

The magnetic propertiesof transition-metal ions aregenerallydescribed by the atomic spins of the ions and their exchange coupling.The orbital moment, usually largely quenched due the ligand field,is then seen as a perturbation. In such a scheme, S = 1/2 io ...

The electronic spectral function of BaNi2As2 is investigated using both angle-resolved photoemission spectroscopy (ARPES) and a combined computational scheme of local density approximation and dynamical mean-field theory (LDA + DMFT). In contrast to the we ...

Semiconducting self-assembled monolayers (SAMs) represent highly relevant components for the fabrication of organic thin-film electronics because they enable the precise formation of active it-conjugates in terms of orientation and layer thickness. In this ...

Rashba materials have appeared as an ideal playground for spin-to-charge conversion in prototype spintronics devices. Among them, alpha-GeTe(111) is a non-centrosymmetric ferroelectric semiconductor for which a strong spin-orbit interaction gives rise to g ...

Incorporating extended pi-conjugated organic cations in layered lead halide perovskites is a recent trend promising to merge the fields of organic semiconductors and lead halide perovskites. Herein, we integrate benzodithiophene (BDT) into Ruddlesden–Poppe ...

Computing the GW quasiparticle band structure and Bethe-Salpeter equation (BSE) absorption spectra for materials with spin-orbit coupling have commonly been done by treating GW corrections and spin-orbit coupling (SOC) as separate perturbations to density- ...

X-ray photoelectron spectroscopy (XPS) measures the binding energy of core-level electrons, which are well-localised to specific atomic sites in a molecular system, providing valuable information on the local chemical environment. The technique relies on m ...

The insulating rare-earth magnet LiY1-xHoxF4 has received great attention because a laboratory field applied perpendicular to its crystallographic c axis converts the low-energy electronic spin Hamiltonian into the (dilute) transverse field Ising model. Th ...

It has been well established experimentally that the interplay of electronic correlations and spin-orbit interactions in Ir4+ and Ir5+ oxides results in insulating J(eff) = 1/2 and J(eff) = 0 ground states, respectively. However, in compounds where the str ...

Symmetry and topology are fundamental properties of nature. Mathematics provides us with a general framework to understand these concepts. On one side, symmetry describes the invariance properties of an object for specific transformations. On the other sid ...

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

Liquid-phase hydrodeoxygenation of phenol over silica-supported MoOx-ReOx catalysts was investigated at 300 degrees C and 5 MPa of H-2. Mixed-oxides catalysts with similar surface metal density (2.3 atoms of metal per nm(2) of SiO2) but different relative ...

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized fram ...

Silicon Surface with Giant Spin Splitting

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Momentum-Space Imaging of Ultra-Thin Electron Liquids in δ-Doped Silicon

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Weakness of Correlation Effect Manifestation in BaNi2As2: An ARPES and LDA plus DMFT Study

Oligothiophene Phosphonic Acids for Self-Assembled Monolayer Field-Effect Transistors

Field-induced ultrafast modulation of Rashba coupling at room temperature in ferroelectric alpha-GeTe(111)

Benzodithiophene‐Based Spacers for Layered and Quasi‐Layered Lead Halide Perovskite Solar Cells

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Two-dimensional correlation analysis for x-ray photoelectron spectroscopy

Precise determination of the low-energy electronuclear Hamiltonian of LiY1-xHoxF4

Charge ordering in Ir dimers in the ground state of Ba5AlIr2O11

Experimental studies of the equilibrium and out-of-equilibrium electronic structure of non-symmorphic topological materials

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Valorization of biomass derivatives through the conversion of phenol over silica-supported Mo-Re oxide catalysts

turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory