相关论文: Functional Mn--Mg$_k$ cation complexes in GaN feat…
We investigate theoretically the effect of nearby As (arsenic) vacancies on the magnetic properties of substitutional Mn (manganese) impurities on the GaAs (110) surface, using a microscopic tight-binding model which captures the salient…
The local density of states of Mn-Mn pairs in GaAs is mapped with cross-sectional scanning tunneling microscopy and compared with theoretical calculations based on envelope-function and tight-binding models. These measurements and…
We investigate the electronic and magnetic properties of (Ga,Mn)N nanocrystals using the density functional theory. We study both wurtzite and zinc-blende structures doped with one or two substitutional Mn impurities. For a single Mn dopant…
Vibronic spectra of molecules are typically described within the Franck-Condon model. Here, we show that highly resolved vibronic spectra of large organic molecules on a single layer of MoS$_{2}$ on Au(111) show spatial variations in their…
The strong spatial confinement of a nanocavity plasmonic field has made it possible to visualize the inner structure of a single molecule and even to distinguish its vibrational modes in real space. With such ever-improved spatial…
The magnetic coupling between doped Mn atoms in clusters as well as crystals of GaN has been studied from first principles using molecular orbital theory for clusters and linearized muffin tin orbitals-tight binding formulation (LMTO-TB)…
Cathodoluminescence spectra employing a shadow mask technique of InGaN layers grown by metal organic chemical vapor deposition on Si(111) substrates are reported. Sharp lines originating from InGaN quantum dots are observed. Temperature…
Mg is currently the only p-type dopant in technological use in GaN. Its incorporation into the GaN lattice is difficult. It requires a thermal treatment that only partially activates the Mg. To achieve moderate p-type doping requires high…
The electronic structure of Mn doped GaAs and GaN have been examined within a multiband Hubbard model. By virtue of the positioning of the Mn d states, Mn doped GaAs is found to belong to the p-d metal regime of the Zaanen-Sawatzky-Allen…
Raman phonons are quantized molecular motions that arise from the inelastic scattering of light and mediate a wide range of spectroscopic and nonlinear optical phenomena. These can play a major role in frequency-conversion processes, but…
We present a general model study of surface-enhanced resonant Raman scattering and fluorescence focusing on the interplay between electromagnetic effects and the molecular dynamics. Our model molecule is placed close to two Ag…
The coupling of translational modes to the reorientational motion is an essential property of systems with internal orientational degrees of freedom. Due to their high complexity most of those systems (molecular crystals, glasses...)…
The polarized Raman spectra of orthorhombic RMnO3 series (R=La,Pr,Nd,Sm,Eu,Gd,Tb,Dy,Ho,Y) were studied at room temperature. The variation of phonon frequencies with R ionic radius rR as a whole confirms the commonly accepted Raman line…
The structural analysis of GaN and Al$_x$Ga$_{1-x}$N/GaN heterostructures grown by metalorganic vapor phase epitaxy in the presence of Mn reveals how Mn affects the growth process, and in particular the incorporation of Al, the morphology…
We uncover the origin of blue luminescence (BL) peak in Mg doped GaN thin film using a combination of experimental X-ray absorption near edge spectroscopy (XANES), first-principles calculations based on density functional theory and full…
In this study, the structural and magnetic properties of group-IV-doped monolayer GaN were systematically investigated by first-principles calculations. Among all the group-IV dopants, only Ge and Sn atoms prefer to substitute the Ga atom…
The different crystal structures of ferromagnetic Ni$_2$MnGa have been calculated using density functional theory (DFT) with special emphasis on the modulated structures 10M and 14M. These are important for understanding the stability of…
The optical spectroscopy of a single InAs quantum dot doped with a single Mn atom is studied using a model Hamiltonian that includes the exchange interactions between the spins of the quantum dot electron-hole pair, the Mn atom and the…
We address the issue of identifying the mediators of effective interactions in cuprates superconductors. Specifically, we use inversion theory to analyze Raman spectra of optimally and over-doped La$_{2-x}$Sr$_x$CuO$_4$ samples. This allows…
Molecular-like carbon-nitrogen complexes in GaAs are investigated both experimentally and theoretically. Two characteristic high-frequency stretching modes at \num{1973} and \SI{2060}{cm^{-1}}, detected by Fourier transform infrared…