Related papers: Electro-optic and electrical properties in Hafnium…
The fast luminescence component of barium fluoride (BaF$_2$) crystals with a subnanosecond decay time can find wide application in particle physics and nuclear physics. However, the slow luminescence component with the 630~ns decay time…
Hafnia-based nanostructures and other high-k dielectrics are promising wide-gap materials for developing new opto- and nanoelectronics devices. They possess a unique combination of physical and chemical properties such as insensitivity to…
The physical properties of La$_4$Ni$_3$O$_{10}$ with a 2D-like Ruddlesden-Popper-type crystal structure are extraordinarily dependent on temperature and chemical substitution. By introducing Al$^{3+}$ atoms ($x$) randomly at the Ni-sites,…
The electrochromic response of Ni-deficient NiO is governed by vacancy-mediated electronic processes that can be strongly influenced by dopant chemistry and lattice deformation. Using density functional theory, we systematically…
The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…
The electrical properties of graphene are known to be modified by chemical species that interact with it. We investigate the effect of doping of graphene-based devices by toluene (C6H5CH3). We show that this effect has a complicated…
We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the $R_{1-x}$Ca$_x$VO$_3$ perovskites,…
Optimising the photoelectrochemical performance of hematite photoanodes for solar water splitting requires better understanding of the relationships between dopant distribution, structural defects and photoelectrochemical properties. Here,…
Lithium niobate (LN) is an excellent nonlinear optical and electro-optic material that has found many applications in classical nonlinear optics, optical fiber communications and quantum photonics. Here we review the recent development of…
Solid-state devices made from correlated oxides such as perovskite nickelates are promising for neuromorphic computing by mimicking biological synaptic function. However, comprehending dopant action at the nanoscale poses a formidable…
Lanthanide-doped fluorides are promising materials for advanced photonic and quantum applications due to their wide bandgap, low phonon energy, and chemical stability. In this work, we present a systematic comparative study of ytterbium…
We discuss the applicability of holographically recorded gratings in photopolymers and holographic polymer-dispersed liquid crystals as neutron optical elements. An experimental investigation of their properties for light and neutrons with…
Optimally doped single crystals of Ba(Fe$_{1-x}$T$_x$)$_2$As$_2$ (T=Co, Ni) were irradiated with 1.4 GeV $^{208}$Pb$^{56+}$ ions at fluences corresponding to matching fields of $B_{\phi}=0.1, 0.5, 1$ and 2 T. Magneto-optical imaging has…
We present a first-principles study of the structure and energetics of Bjerrum defects in ice Ih and compare the results to experimental electrical conductivity data. While the DFT result for the activation energy is in good agreement with…
Sessile droplets of a ferroelectric nematic liquid crystalline material were exposed to surface electric fields produced by pyroelectric and photogalvanic (photovoltaic) effects in X-cut iron-doped lithium niobate crystals. The resulting…
Doping is one of the most common strategies for improving the photocatalytic and solar energy conversion properties of TiO$_2$, hence an accurate theoretical description of the electronic and optical properties of doped TiO$_2$ is of both…
Nanocomposites made of polymer films embedding silver nanoparticles were prepared by thermal annealing of poly-(vinyl) alcohol films containing AgNO3. Low (2.5% w:w) and high (25% w:w) doping concentration of silver nitrate were considered…
LiNiO2 has high energy density but easily reacts with moisture in the atmosphere and deteriorates. We performed qualitative and quantitative evaluations of the degraded phase of LiNiO2 and the influence of the structural change on the…
We study mechanisms of control of charge state and concentration of different point defects in doped insulating crystals. The approach is based on the density functional theory calculations. We apply it to the problem of obtaining of…
Using first principles calculations, we study the ground-state structure of bulk proton-exchanged lithium niobate, which is also called hydrogen niobate and is widely used in waveguides. Thermodynamics helps to establish the most favorable…