相关论文: Rare-earth defects and defect-related luminescence…

We investigate native point defects and rare-earth (co)dopants in SrAl$_2$O$_4$ using hybrid density-functional defect calculations. Europium (Eu) and dysprosium (Dy) are found to be mixed valence and energetically most favorable at the Sr…

Defect physics of europium (Eu) doped GaN is investigated using first-principles hybrid density-functional defect calculations. This includes the interaction between the rare-earth dopant and native point defects (Ga and N vacancies) and…

Rare-earth (RE) doped GaN is of interest for optoelectronics and spintronics and potentially for quantum applications. A fundamental understanding of the interaction between RE dopants and the semiconductor host is key to realizing the…

Rare-earth doped barium zirconate (BaZrO$_3$) ceramics are of interest as proton-conducting and luminescent materials. Here, we report a study of dysprosium (Dy) and other relevant point defects in BaZrO$_3$ using hybrid density-functional…

The formation energies and electronic structure of europium doped zinc oxide has been determined using DFT and many-body $GW$ methods. In the absence of intrisic defects we find that the europium-$f$ states are located in the ZnO band gap…

Understanding the luminescence of GaN doped with erbium (Er) requires a detailed knowledge of the interaction between the rare-earth dopant and the nitride host, including intrinsic defects and other impurities that may be present in the…

Rare-earth-doped nitride phosphors are promising materials for solid-state lighting and photonic applications due to their thermal stability, sharp emission lines, and strong UV-blue absorption. In this work, we present a first-principles…

Zinc sulfide (ZnS) based materials are widely used in many applications. Yet, due to a lack of detailed knowledge of defect energy levels, the electrical properties and luminescence mechanisms in the materials still give rise to debate.…

Tungstate-based oxides have attracted significant attention owing to their excellent structural stability, chemical robustness, and versatile optical properties, making them suitable for next-generation optoelectronic and phosphor…

We have synthesized a novel europium bismuth sulfofluoride, Eu3Bi2S4F4, by solid-state reactions in sealed evacuated quartz ampoules. The compound crystallizes in a tetragonal lattice (space group I4/mmm, a = 4.0771(1) A, c = 32.4330(6) A,…

The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local spin density approximation, by which several configurations…

In RIn3 and RSn3 the rare earth (R) is trivalent, except for Eu and Yb, which are divalent. This was experimentally determined in 1977 by perturbed angular correlation measurements of the electric-field gradient on a 111Cd impurity. At that…

The results of the investigation of the spectral characteristics of new luminescent substances based on rare-earth ions Eu3 + and Tb3 + in matrices of double molybdates are presented in the article. The luminescence and excitation spectra…

The investigation of crystallographic, electronic, and magnetic characteristics, especially the mixed valences of Eu$^{2+}$ and Eu$^{3+}$ under pressure of a novel europium-based bismuth selenide compound, Eu$_4$Bi$_6$Se$_{13}$, presented.…

The precise atomic-scale structure around Eu$^{2+}$ activators in the $\beta$-Si$_{6-z}$Al$_z$O$_z$N$_{8-z}$:Eu$^{2+}$ commercial green phosphor remains elusive. We use the first-principles $\Delta$SCF excited-state method, embedding of the…

We have synthesized two new Eu-based compounds, EuSr2Bi2S4F4 and Eu2SrBi2S4F4 which are derivatives of Eu3Bi2S4F4, an intrinsic superconductor with Tc = 1.5 K. They belong to a tetragonal structure (SG: I4/mmm, Z = 2), similar to the parent…

Europium-doped gallium nitride (GaN:Eu) is a promising platform for classical and quantum optoelectronic applications. When grown using organometallic vapor-phase epitaxy, the dominant red emission from Eu exhibits an inhomogeneous…

First principles calculations of rare earth (RE)-doped LaSi3N5 host lattice are performed to obtain the electronic structure, the band gap (BG), and the character of electronic transitions. Doping with both trivalent and bivalent RE cations…

Ab-initio spin-polarized Density Functional Theory plus U is used to study the electronic and magnetic properties of tetragonal doped barium titanate (Ba$_{1-x}$Eu$_x$O$_3$) system for different europium (Eu$^{3+}$) concentrations. For this…

Narrow-gap rare-earth Zintl phases frequently exhibit fascinating physical phenomena due to their various crystal structures, complex magnetic properties, and tunable transport behaviors. Here we report the synthesis, magnetic,…