Photoemission and optical studies of ZrSe3, HfSe3, and ZrS3

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Quantum spin Hall insulators are a class of topological materials that has been extensively studied during the past decade. One of their distinctive features is the presence of a finite band gap in the bulk and gapless, topologically protected edge states ...

Epsilon-near-zero (ENZ) materialshave attracted great interestdue to their exotic linear and nonlinear responses, which makes itsignificant to tune ENZ wavelengths for wavelength-dependent applications.However, studies to achieve tunability in a wide spect ...

Strain is an inevitable phenomenon in two-dimensional (2D) material, regardless of whether the film is suspended or supported. Moreover, strain is known to alter the physical and chemical properties, such as the band gap, charge carrier effective masses, d ...

This work demonstrates the capabilities of an entangled photon-pair source at telecom wavelengths, based on a photonic integrated Si3N4 microresonator with monolithically integrated piezoelectric frequency tuning. Previously, frequency tuning of photon pai ...

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 ...

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- ...

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 ...

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 ...

Two-dimensional (2D) materials are atomically thin crystals with exceptional mechanical, electrical and optical properties. Their unique characteristics originating from quantum confinement in the vertical dimension have attracted a strong interest for sci ...

The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces is studied ...

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 ...

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

The cascade of electronic phases in CsV3Sb5 raises the prospect to disentangle their mutual interactions in a clean, strongly interacting kagome lattice. When the kagome planes are stacked into a crystal, its electronic dimensionality encodes how much of t ...

We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site U and inter-site V ) in the framework of DFT+U and DFT+U+V. The code does not require the use of computationally expensive superce ...

Photoemission and optical studies of ZrSe3, HfSe3, and ZrS3

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Complementary screening for quantum spin Hall insulators in two-dimensional exfoliable materials

Manufacturing-Enabled Tunability of Linear and Nonlinear Epsilon-Near-Zero Properties in Indium Tin Oxide Nanofilms

Atomic-scale Characterization of Strain and Gate effects on Two-dimensional Materials by Scanning Tunneling Microscopy

Integrated photon-pair source with monolithic piezoelectric frequency tunability

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

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

Charge ordering in Ir dimers in the ground state of Ba5AlIr2O11

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

Optoelectronics based on the spin-valley physics of 2D materials

Electronic Structure of InAs and InSb Surfaces: Density Functional Theory and Angle-Resolved Photoemission Spectroscopy

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

Spectroscopy and dynamics at liquid water interfaces

Three-dimensional Fermi surfaces from charge order in layered CsV3Sb5

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory