The Advantage of Nanowire Configuration in Band Structure Determination (Adv. Funct. Mater. 41/2021)

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Chirality in tellurium arises from a Peierls distortion driven by strong electron-phonon coupling, making this material a unique candidate for observing a light-induced topological phase transition. Using time- and angle-resolved photoelectron spectroscopy ...

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

This work reports experimental results of the quantitative determination of oxygen and band gap measurement in the TiNx electrodes in planar TiNx top/La:HfO2/TiNx bottom MIM stacks obtained by plasma enhanced atomic layer deposition on SiO2. Methodological ...

The tin oxide buffer layer between the transparent conducting oxide current collector and the hematite photoelectrode causes considerable water oxidation enhancement of that electrode. The water oxidation onset potential is lowered by 180 mV. The lifetime ...

By combining experiments and first-principles calculations, Y-doped Sb7Se3 thin films were successfully fabricated and investigated. Our results suggest that Y is one promising dopant for simultaneously enhancing thermal stability, increasing phase change ...

Parity-time symmetry plays an essential role for the formation of Dirac states in Dirac semimetals. So far, all of the experimentally identified topologically nontrivial Dirac semimetals (DSMs) possess both parity and time reversal symmetry. The realizatio ...

Contradictory theoretical results for oxygen vacancies in SrTiO3 (STO) were often related to the peculiar properties of STO, which is a d(0) transition metal oxide with mixed ionic-covalent bonding. Here, we apply, for the first time, density functional th ...

Two-dimensional (2D) materials, in particular graphene and transition metal dichalcogenides (TMDC), have attracted great scientific interest over the last decade, revealing exceptional mechanical, electrical and optical properties. Owing to their layered n ...

We describe a nonempirical procedure for achieving accurate band gaps of extended systems through the insertion of suitably defined potential probes. By enforcing Koopmans' condition on the resulting localized electronic states, we determine the optimal fr ...

We show that constant-Fermi-level ab initio molecular dynamics can be used as a computer-based tool to reveal and control relevant defects in semiconductor materials. In this scheme, the Fermi level can be set at any position within the band gap during the ...

Layered transition metal chalcogenides with large spin orbit coupling have recently sparked much interest due to their potential applications for electronic, optoelectronic, spintronics, and valleytronics. However, most current understanding of the electro ...

The quest for investigating the non-equilibrium dynamics of the band structure of strongly-correlated materials over their entire Brillouin zone is a primary objective. However, the actual ultrafast UV light sources are not suitable for addressing several ...

The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material or by environmental screening from the surrounding medium. The physical properties of 2D sem ...

Optical properties of the PbTiO3 thin films fabricated by chemical solution deposition have been measured with variable angle spectroscopic ellipsometry in the spectral range of 1-6 eV and in the temperature interval from room temperature to 950 K. The opt ...

Four center symmetrical star-shaped hole transporting materials (HTMs) comprising planar triazatruxene core and electron-rich methoxy-engineered side arms have been synthesized and successfully employed in (FAPbI(3))(0.85)(MAPbBr(3))(0.15) perovskite solar ...

This thesis consists of a theoretical analysis of charged domain walls in ferroelectrics based on Landau theory and the theory of semiconductors. First, the internal structure of a 180-degree charged domain wall is considered. It is shown that different re ...

The defect levels of the nitrogen dangling bond at the Si/SiO2 interface are determined through a density-functional approach. The composition grading at the interface is modeled through crystalline and amorphous models of stoichiometric SiO2, nitrided SiO ...

Magnetotransport measurements in large diameter multiwall carbon nanotubes (20–40 nm) demonstrate the competition of a magnetic-field dependent bandstructure and Altshuler–Aronov–Spivak oscillations. By means of an efficient capacitive coupling to a backga ...

The (sub)-ps relaxation processes in PbSe quantum dots of different sizes were measured by near-IR luminescence upconversion. The early-time spectra are characterized by emission from several low-lying excited states. The direct measurement of the Huang-Rh ...

The Advantage of Nanowire Configuration in Band Structure Determination (Adv. Funct. Mater. 41/2021)

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Light-induced renormalization of the band structure of chiral tellurium

Murunskite - a new class of functional material

Structure, Oxygen Content and Electric Properties of Titanium Nitride Electrodes in TiNx/La:HfO2/TiNx Stacks Grown by PEALD on SiO2/Si

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Improved thermal stability and fast phase change speed of Y-doped Sb7Se3 thin film for phase change memory applications

Emergence of Nontrivial Low-Energy Dirac Fermions in Antiferromagnetic EuCd2As2

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Adjustable potential probes for band-gap predictions of extended systems through nonempirical hybrid functionals

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Evolution of the Valley Position in Bulk Transition-Metal Chalcogenides and Their Monolayer Limit

Advancing non-equilibrium ARPES experiments by a 9.3 eV coherent ultrafast photon source

Ultrafast Band Structure Control of a Two-Dimensional Heterostructure

The variation of PbTiO3 bandgap at ferroelectric phase transition

Triazatruxene-Based Hole Transporting Materials for Highly Efficient Perovskite Solar Cells

Macroscopic Theory of Charged Domain Walls in Ferroelectrics

Charge transition levels of nitrogen dangling bonds at Si/SiO2 interfaces: A first-principles study

Competition between magnetic field dependent band structure and coherent backscattering in multiwall carbon nanotubes

Subpicosecond near-infrared fluorescence upconversion study of relaxation processes in PbSe quantum dots