Search results for "density [muon]"
showing 10 items of 313 documents
Advancing cyanobacteria biomass estimation from hyperspectral observations: Demonstrations with HICO and PRISMA imagery
2021
Retrieval of the phycocyanin concentration (PC), a characteristic pigment of, and proxy for, cyanobacteria biomass, from hyperspectral satellite remote sensing measurements is challenging due to uncertainties in the remote sensing reflectance (?R) resulting from atmospheric correction and instrument radiometric noise. Although several individual algorithms have been proven to capture local variations in cyanobacteria biomass in specific regions, their performance has not been assessed on hyperspectral images from satellite sensors. Our work leverages a machine-learning model, Mixture Density Networks (MDNs), trained on a large (N = 939) dataset of collocated in situ chlorophyll-a concentrat…
Probing the bond order wave phase transitions of the ionic Hubbard model by superlattice modulation spectroscopy
2017
An exotic phase, the bond order wave, characterized by the spontaneous dimerization of the hopping, has been predicted to exist sandwiched between the band and Mott insulators in systems described by the ionic Hubbard model. Despite growing theoretical evidences, this phase still evades experimental detection. Given the recent realization of the ionic Hubbard model in ultracold atomic gases, we propose here to detect the bond order wave using superlattice modulation spectroscopy. We demonstrate, with the help of time-dependent density-matrix renormalization group and bosonization, that this spectroscopic approach reveals characteristics of both the Ising and Kosterlitz-Thouless transitions …
Accessing finite momentum excitations of the one-dimensional Bose-Hubbard model using superlattice modulation spectroscopy
2018
We investigate the response to superlattice modulation of a bosonic quantum gas confined to arrays of tubes emulating the one-dimensional Bose-Hubbard model. We demonstrate, using both time-dependent density matrix renormalization group and linear response theory, that such a superlattice modulation gives access to the excitation spectrum of the Bose-Hubbard model at finite momenta. Deep in the Mott-insulator, the response is characterized by a narrow energy absorption peak at a frequency approximately corresponding to the onsite interaction strength between bosons. This spectroscopic technique thus allows for an accurate measurement of the effective value of the interaction strength. On th…
Quantum criticality on a chiral ladder: An SU(2) infinite density matrix renormalization group study
2019
In this paper we study the ground-state properties of a ladder Hamiltonian with chiral $\text{SU}(2)$-invariant spin interactions, a possible first step toward the construction of truly two-dimensional nontrivial systems with chiral properties starting from quasi-one-dimensional ones. Our analysis uses a recent implementation by us of $\text{SU}(2)$ symmetry in tensor network algorithms, specifically for infinite density matrix renormalization group. After a preliminary analysis with Kadanoff coarse graining and exact diagonalization for a small-size system, we discuss its bosonization and recap the continuum limit of the model to show that it corresponds to a conformal field theory, in agr…
Ab initio modelling of the effects of varying Zr (Ti) concentrations on the atomic and electronic properties of stoichiometric PZT solid solutions
2017
Abstract Lead zirconate titanate Pb(ZrxTi1−x)O3 solid solution is considered as one of the most advanced ferroelectric and piezoelectric materials. Consequent variation of Zr (Ti) concentrations significantly affects the atomic and electronic properties of PZT structures. To perform ab initio modelling of different morphologies for lead zirconate titanate, we are using approach of hybrid density functional B3PW as implemented in CRYSTAL14 computer code. In this study, we are performing large-scale calculations of such PZT parameters as optimized lattice constants, atomic charges and bond populations, as well as band structure (e.g., band gap) and density of states.
Atomic and electronic structure of the corundum (0001) surface: comparison with surface spectroscopies
1997
Abstract The electronic structure and geometry of the Al-terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 A, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS He I) and metastable impact electron spectra (MIES) is given using the calculated total density of states of the slab and the projections to the atoms, atomic orbitals, and He 1s floating atomic orbital at different positions above the surface. Calculated projected densities…
Cluster-model density functional study of a W–Cu(100) STM junction
1999
Abstract In this article, we investigate the electronic properties of different clusters modelling a tungsten tip, the Cu(1 0 0) surface and interacting W–Cu(1 0 0) systems in STM configuration. Electronic structure calculations are carried out within the LDA approximation of the Density Functional Theory (DFT). Both integrated (densities of states) and local properties (electronic density and electrostatic potential) are considered. The study is performed for top and hollow surface sites and two different tip–sample separations.
The partition sum of methane at high temperature
2008
11 pages, 4 Tables, 3 Figures Computer code on line at http://icb.u-bourgogne.fr/JSP/TIPS.jsp; International audience; The total internal partition function of methane is revisited to provide reliable values at high temperature. A multi-resolution approach is used to perform a direct summation over all the rovibrational energy levels up to the dissociation limit. A computer code is executable on line at the URL : http://icb.u-bourgogne.fr/JSP/TIPS.jsp to allow the calculation of the partition sum of methane at temperatures up to 3000 K. It also provides detailed information on the density of states in the relevant spectral ranges. The recommended values include uncertainty estimates. It is …
Electron spectra in double quantum wells of different shapes
2022
We suggest a method for calculating electronic spectra in ordered and disordered semiconductor structures (superlattices) forming double quantum wells (QW). In our method, we represent the solution of Schr\"odinger equation for QW potential with the help of the solution of the corresponding diffusion equation. This is because the diffusion is the mechanism, which is primarily responsible for amorphization (disordering) of the QW structure, leading to so-called interface mixing. We show that the electron spectrum in such a structure depends on the shape of the quantum well, which, in turn, corresponds to an ordered or disordered structure. Namely, in a disordered substance, QW typically has …
Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and subsurface vacancies
2011
The incorporation of oxygen atoms has been simulated into either nitrogen or uranium vacancy at the UN(001) surface, sub-surface or central layers. For calculations on the corresponding slab models both the relativistic pseudopotentials and the method of projector augmented-waves (PAW) as implemented in the VASP computer code have been used. The energies of O atom incorporation and solution within the defective UN surface have been calculated and discussed. For different configurations of oxygen ions at vacancies within the UN(001) slab, the calculated density of states and electronic charge re-distribution was analyzed. Considerable energetic preference of O atom incorporation into the N-v…