Search results for "Band structure"
showing 10 items of 215 documents
Microcalorimeter/EBIT measurements of X-ray spectra of highly charged ions
2001
Spectra of highly charged Ar, Kr, Xe and Fe ions, produced in an Electron Beam Ion Trap (EBIT), have been recorded in a broad X-ray energy band (0.2 keV to 10 keV) with a microcalorimeter detector. The first analysis of the Kr spectra has been completed and most of the spectral lines have been identified as transitions of B- to Al-like Kr. Line intensity ratios of Fe XVII have been measured and compared with theoretical models.
Notice of Removal: Stochastic generation of the phononic band structure of lossy and infinite crystals
2017
The concept of the band structure is central to the field of phononic crystals. Indeed, capturing the dispersion of Bloch waves — the eigenmodes of propagation in periodic media — gives invaluable information on allowed propagation modes, their phase and group velocities, local resonances, and band gaps. Band structures are usually obtained by solving an eigenvalue problem defined on a closed and bounded domain, which results in a discrete spectrum. There are at least two cases, however, that cannot be reduced to a simple eigenvalue problem: first, when materials showing dispersive loss are present and second, when the unit-cell extends beyond any bound, as in the case of phononic crystal o…
ChemInform Abstract: Metal-Metal Bonding and Metallic Behavior in Some ABO2 Delafossites.
2010
We present results of ab initio band structure calculations on some ABO2 delafossite oxides that have both the A and B sites occupied by transition metals. This class of materials includes insulators as well as some of the most conducting oxides. The calculations have been performed in order to understand the nature of the metallic and insulating states and the extensive metal−metal bonding displayed by these materials. The effect of polytypism on the electronic structure is examined. Among the interesting aspects of the electronic structure of these materials are the contributions from both A and B atoms to states near the Fermi energy and the highly disperse nature of bands derived from t…
The3He neutron spin filter at ILL
1997
Abstract Neutron Spin-Filters (NSF) using gaseous polarized 3He have long been recognized as having enormous potential value in many polarized neutron scattering applications and, accordingly, ILL started a development program some years ago. This report gives an account of the present status of the project. Let us first briefly recall the reasons why the 3He-NSF is desirable as a generic polarization tool: Being a pure transmission device, NSF naturally decouples the neutron spin selection from other optical functions. Designing polarized instruments will be simplified having no geometrical constraints due to Bragg optics or beam deviation in the polarizer. Angular acceptance and energy ba…
Thickness dependence of anomalous Hall conductivity in L10-FePt thin film
2019
L10 ordered alloys are ideal models for studying the anomalous Hall effect (AHE), which can be used to distinguish the origin from intrinsic (from band structure) or from extrinsic effects (from impurity scatterings). In the bulk limit of L10 ordered FePt films, the AHE is considered to be dominated by the intrinsic contribution, which mainly comes from the strong spin-orbit interaction (SOI) of Pt atoms and exchange-splitting of Fe atoms. The study of anomalous Hall conductivity (AHC) of L10-FePt thin films is of particular interest for its application in spintronic devices. In order to reduce the effects of defects such as grain boundaries, we chose SrTiO3 as the substrate which has a ver…
Momentum and energy dissipation of hot electrons in a Pb/Ag(111) quantum well system
2021
The band structure of multilayer systems plays a crucial role for the ultrafast hot carrier dynamics at interfaces. Here, we study the energy- and momentum-dependent quasiparticle lifetimes of excited electrons in a highly ordered Pb monolayer film on Ag(111) prior and after the adsorption of a monolayer of 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA). Using time-resolved two-photon momentum microscopy with femtosecond visible light pulses, we show that the electron dynamics of the Pb/Ag(111) quantum well system is largely dominated by two types of scattering processes: (i) isotropic intraband scattering processes within the quantum well state (QWS) and (ii) isotropic interband sca…
Spin-layer locking of interlayer excitons trapped in moir\'e potentials
2019
Van der Waals heterostructures offer attractive opportunities to design quantum materials. For instance, transition metal dichalcogenides (TMDs) possess three quantum degrees of freedom: spin, valley index, and layer index. Further, twisted TMD heterobilayers can form moir\'e patterns that modulate the electronic band structure according to atomic registry, leading to spatial confinement of interlayer exciton (IXs). Here we report the observation of spin-layer locking of IXs trapped in moir\'e potentials formed in a heterostructure of bilayer 2H-MoSe$_2$ and monolayer WSe$_2$. The phenomenon of locked electron spin and layer index leads to two quantum-confined IX species with distinct spin-…
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.
Electronic Band Transitions in γ-Ge3N4
2021
This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 and 2019-2020 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Support from Estonian Research Council grant PUT PRG 619 is gratefully acknowledged. The multi-anvil experiments at LMV were supported by the French Government Laboratory of Excellence initiative no ANR-10-LABX-0006, the Région Auvergne and the European Regional Development Fund (ClerVolc Contribution Number 478).
Computer Simulations of the Band Structure and Density of States of the Linear Chains of NaCl Ions
2019
The authors thank Eugene Kotomin and V. Kuzovkov for fruitful discussions and valuable suggestions. A.I.P thanks A.Moskina for the technical assistance in preparation of the manuscript. A.I.P also gratefully acknowledges a project LZP-2018/1-0214 from the Latvian Council of Science for partial support.