Related papers: Defect physics in $Yb^{3+}$-doped $CaF_2$ from fir…
In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calculations based on density functional theory, the structural…
The phase diagram of electron-doped pnictides is studied varying the temperature, electronic density, and isotropic quenched disorder strength by means of computational techniques applied to a three-orbital ($xz$, $yz$, $xy$) spin-fermion…
Theoretical calculations under the scheme of WIEN2k computer package had been performed on the pristine compound LaOFeAs, as well as on LaO1-xFxFeAs. One factor crucial to the manifestation of superconductivity seems to be fluorine doping;…
Compound-tunable embedding potential (CTEP) method developed in previous works to describe electronic structure of fragments in materials is applied to crystals containing periodically arranged lanthanide atoms, which can have open $4f$…
An ensemble of emitters can behave significantly different from its individual constituents when interacting coherently via a common light field. After excitation, collective coupling gives rise to an intriguing many-body quantum…
Fluorite structure ferroelectrics, especially hafnium oxide, are widely investigated for their application in non-volatile memories, sensors, actuators, RF devices and energy harvesters. Due to the metastable nature of the ferroelectric…
The flux lattice melting temperature in optimally doped YBCO has been shown to be very close to that of the onset of fluctuations around H_{c2}(T). Here, we present a theoretical argument in support of the idea that this occurs because the…
The mechanism of high-Tc superconductivity is investigated with interests on the microscopic aspects of the condensation energy. The theoretical analysis is performed on the basis of the FLEX approximation which is a microscopic description…
We present a dynamical mean field theory study of the valence transition ($f^{14} \to f^{13}$) in elemental, metallic Yb under pressure. Our calculations reproduce the observed valence transition as reflected in the volume dependence of the…
Understanding and modeling energy transfer mechanisms in rare-earth-doped nanomaterials is essential for advancing luminescent technologies used in bioimaging, optical thermometry, and solid-state lasers. In this work, we investigate the…
Photonic crystals are extremely sensitive to structural disorder even to the point of completely losing their functionalities. While on one side this can be detrimental for applications in traditional optical devices, on the other side, it…
We report the first demonstration of solid-state optical refrigeration of a Ho-doped material. A 1 mol% Ho-doped Yttrium Lithium Fluoride (YLF) crystal is cooled by mid-IR laser radiation, and its external quantum efficiency and parasitic…
Yttrium calcium aluminate, with the formula CaYAl3O7, has been extensively researched due to its remarkable luminescent properties when doped or co-doped. Additionally, it exhibits exceptional piezoelectric properties at high temperatures.…
We observed an intensive near-infrared luminescence in Bi-doped KAlCl4 polycrystalline material. Luminescence dependence on the excitation wavelength and temperature of the sample was studied. Our experimental results allow asserting that…
We report the antimony (Sb) doping effect in a prototype system of iron-based supercon-ductors LaFeAsO1-yFy (y=0, 0.1, 0.15). X-ray powder diffraction indicates that the lattice pa-rameters increase with Sb content within the doping limit.…
The elastic, thermodynamic, and electronic properties of fluorite RuO_2 under high pressure are investigated by plane-wave pseudopotential density functional theory. The optimized lattice parameters, elastic constants, bulk modulus, and…
Various experimental techniques, have revealed that the predominant intrinsic point defects in BaF$_2$ are anion Frenkel defects. Their formation enthalpy and entropy as well as the corresponding parameters for the fluorine vacancy and…
Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…
Photoluminescence of non-aromatic supramolecular chemical assemblies has attracted considerable attention in recent years due to its potential for use in molecular sensing and imaging technologies. The underlying structural origins, the…
Bulk niobium is the material mostly used in RF superconducting cavities for accelerator. Predicting and reducing the surface dissipation in RF is mandatory, since it has a tremendous cost impact on most of the large accelerator projects.…