相关论文: Native point defects in CaS: A focus on doping lim…
We investigate the native defects, the Mo substitutional impurities of the group-VB and -VIIB elements, and the S substitutional impurities of the group-VA and -VIIA elements in single-layer MoS2, through density-functional theory…
While both the hole and electron doped cuprates can exhibit $d_{x^2-y^2}$-wave superconductivity, the local distribution of the doped carriers is known to be significantly different with the doped holes going primarily on the O sites while…
Based on the $t-t'-U-V$ model with proper chosen parameters for describing the cuprate superconductors, it is found that near the optimal doping at low temperature ($T$), only the pure d-wave superconductivity ($d$SC) prevails and the…
The elucidation of the mechanism of Sn$V^-$ formation in diamond is especially important as the Sn$V^-$ color center has the potential to be a superior single-photon emitter when compared to the N$V$ and to other Group IV color centers. The…
Dynamic light scattering techniques are routinely used for numerous industrial and research applications, because they can give access to the motion spectrum of micro- and nano-objects, and therefore to particle sizes or visco-elastic…
By considering both the average structural parameters obtained from Rietveld refinement of neutron powder diffraction data, and the local structural parameters obtained from the atomic pair distribution function, we have tested the recent…
The native point defects are studied in LiGaO2 using hybrid functional calculations. We find that the relative energy of formation of the cation vacancies and the cation antisite defects depends strongly on the chemical potential…
The luminescence of fifteen representative Eu$^{2+}$-doped phosphors used for white-LED and scintillation applications is studied through a Constrained Density Functional Theory. Transition energies and Stokes shift are deduced from…
We have measured the reflectivity of the optimally doped Ca$_{8.5}$La$_{1.5}$(Pt$_3$As$_8$)(Fe$_{10}$As$_{10}$) single crystal ($T_c$ = 32.8K) over the broad frequency range from 40 to 12000 $cm^{-1}$ and for temperatures from 8 to 300 K.…
Using first-principles calculations, we explored all the 21 defect-pairs in GaN and considered 6 configurations with different defect-defect distances for each defect-pair. 15 defect-pairs with short defect-defect distances are found to be…
Silicon carbide is a very promising platform for quantum applications because of extraordinary spin and optical properties of point defects in this technologically-friendly material. These properties are strongly influenced by crystal…
Calcium fluoride has been widely used for light up-/down-conversion luminescence by accommodating lanthanide ions as sensitizers or activators. Especially, Yb-doped \ce{CaF2} exhibits unique defect physics, causing various effects on the…
The optical properties of point defects in as-grown natural silica are reviewed. Two emissions peaked at 4.2 eV ($\alpha_E$ band) and at 3.1 eV ($\beta$ band), related to an absorption band at 5.1 eV ($B_{2\beta}$), have been experimentally…
Resistivity, Hall effect and magnetoresistance have been investigated systematically on single crystals of Ba$_{1-x}$K$_x$Fe$_2$As$_2$ ranging from undoped to optimally doped regions. A systematic evolution of the quasiparticle scattering…
Ab-initio calculations for the electronic and optical properties of single-layer (SL) tungsten disulfide (WS$_2$) in the presence of substitutional Erbium defects (Er$_{\rm W}$) are presented, where the W atom is replaced by an Er atom.…
The electronic properties of Fe-based superconductors are drastically affected by deformations on their crystal structure introduced by doping and pressure. Here we study single crystals of FeSe$_{1-x}$S$_{x}$ and reveal that local crystal…
The superconducting instabilities of the doped repulsive 2D Hubbard model are studied in the intermediate to strong coupling regime with help of the Dynamical Cluster Approximation (DCA). To solve the effective cluster problem we employ an…
A variational Monte Carlo calculation is used for studying the ground state of the two-dimensional Hubbard model, including hopping between both nearest and next-nearest neighbor sites. Superconductivity with d-wave symmetry is found to be…
We measured the temperature dependence of the in-plane polarized reflectivity spectra of twin-free Y$_{1-x}$Ca$_{x}$Ba$_{2}$Cu$_{3}$O$_{7-{\delta}}$ single crystals with different Ca-concentrations (x=0,0.11 and 0.16) from optimally doped…
In order to examine to what extent the rigid-band-like electron doping scenario is applicable to the transition metal-substituted Fe-based superconductors, we have performed angle-resolved photoemission spectroscopy studies of…