相关论文: Engineering Electrochromism in Ni-Deficient NiO th…
We investigate nonlinear optical absorption in diamond crystals containing high densities of nitrogen vacancy (NV) centers using open-aperture Z-scan measurements with 230 fs laser pulses at 1032 nm, within the transparency window of…
We have calculated the chemical trend of magnetic exchange parameters ($J_{dd}$, $N \alpha$, and $N \beta$) of Zn-based II-VI semiconductors ZnA (A=O, S, Se, and Te) doped with Co or Mn. We show that a proper treatment of electron…
Optically addressable spin defects in silicon carbide, including the neutral divacancy (VV$^0$) and the negative nitrogen-vacancy (NV$^-$), are among leading building blocks of solid-state quantum technologies. Integrating these defects…
Non-destructive characterization of lithium-ion batteries provides critical insights for optimizing performance and lifespan while preserving structural integrity. Optimizing electrolyte design in commercial LIBs requires consideration of…
The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry and with doping is revealed. We investigate the correlated electronic structure of NdNiO$_2$ at lower temperatures and show that first-principles…
Nitrogen-Vacancy (NV) centers in diamond have been identified over the past few years as promising systems for a variety of applications, ranging from quantum information science to magnetic sensing. This relies on the unique optical and…
With infrared (IR) ellipsometry and DC resistance measurements we investigated the photo-doping at the (001) and (110) surfaces of SrTiO$_3$ (STO) single crystals and at the corresponding interfaces of LaAlO$_3$/SrTiO$_3$ (LAO/STO)…
A highly intriguing aspect in iron-pnictide superconductors is the composition-dependent electronic structure, in particular the question if and how charge carriers are introduced to the system upon substitution of Ba by alkali metals or of…
Layered chalcogenide materials have a wealth of nanoelectronics applications like resistive switching and energy-harvesting such as photocatalyst owing to rich electronic, orbital, and lattice excitations. In this work, we explore…
The silicon vacancy (SiV) center in diamond is drawing much attention due to its optical and spin properties, attractive for quantum information processing and sensing. Comparatively little is known, however, about the dynamics governing…
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…
Calculations of formation energies and charge transition levels of defects routinely rely on density functional theory (DFT) for describing the electronic structure. Since bulk band gaps of semiconductors and insulators are not well…
Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…
The realization of ambient-pressure superconductivity in La$_3$Ni$_2$O$_7$ thin films raises a fundamental question: is the metallic ground state driven by lattice strain or interfacial charge reconstruction? Using fully self-consistent…
We present a phase-resolved investigation of Ni-based oxides and hydroxides relevant to the oxygen evolution reaction (OER), combining ground-state DFT+U calculations with operando and in situ Raman spectroscopy, supported by…
Here we report the evolution of Ni stress in electroplated Ni films and investigate its origins as a function of electroplating time. First, low stress 200-nm-thick Ti / 200-nm thick Ni seed layers are deposited onto Si (100) wafers via…
As the only semimetallic $d^{10}$-based delafossite, AgNiO$_2$ has received a great deal of attention due to both its unique semimetallicity and its antiferromagnetism in the NiO$_2$ layer that is coupled with a lattice distortion. In…
Tuning of the electronic properties of pre-synthesized colloidal semiconductor nanocrystals (NCs) by doping plays a key role in the prospect of implementing them in printed electronics devices such as transistors, and photodetectors. While…
We investigate the nature of the electronic ground state and electron-lattice couplings for doped chains of CuO_4 plaquettes or CuO_6 octahedra. The undoped configuration implies here Cu 3d^9 and O 2p^6 formal valence states. The results of…
The charge state of a quantum point defect in a solid state host strongly determines its optical and spin characteristics. Consequently, techniques for controlling the charge state are required to realize technologies such as quantum…