Database of ab initio L-edge X-ray absorption near edge structure
نویسندگان
چکیده
منابع مشابه
Polarized X-ray Absorption near Edge Structure
Polarized measurements of oriented single crystals can be used to simplify the interpretation of X-ray absorption near edge structure (XANES) spectra by permitting a direct determination of the symmetry properties of a particular transition. We have utilized this technique to study the XANES spectra for several first-row transition metal complexes. Applications to the weak, ls+3d transition, to...
متن کاملStructures of Micro Films of TiN by Ab-initio Calculation: Implication to X-ray Absorption Near Edge Structure (XANES)
XANES (X-ray Absorption Near Edge Structure) of TiN and TiO2 layers on various substrates have been investigated by comparing the theoretical L3,2 edge of titanium and K edges of nitrogen and oxygen of various crystals, including TiN, TiO, and hcp Ti. The theoretical work is based on the relativistic spin-polarized density functional theory with generalized gradient approximation. XANES spectra...
متن کاملNear-edge x-ray absorption fine-structure investigation of graphene.
We report the near-edge x-ray absorption fine-structure (NEXAFS) spectrum of a single layer of graphite (graphene) obtained by micromechanical cleavage of highly ordered pyrolytic graphite on a SiO2 substrate. We utilized a photoemission electron microscope to separately study single-, double-, and few-layers graphene samples. In single-layer graphene we observe a splitting of the pi resonance ...
متن کاملX-ray Absorption Near Edge Structure of FePt nanoclusters
X-ray Absorption Near Edge Structure [XANES] of FePt nanoclusters has been studied using a full multiple scattering, self-consistent field [SCF], real-space Green‘s function approach realized via the powerful ab initio FEFF8 code. One purpose of our study is to determine the sensitivity of Pt L3 edge with respect to the size and shape of the FePt nanoclusters. We also give the results of the ca...
متن کاملNear Edge X-ray Absorption Fine Structure Spectroscopy with X-Ray Free-Electron Lasers
We demonstrate the feasibility of Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy on solids by means of femtosecond soft x-ray pulses from a free-electron laser (FEL). Our experiments, carried out at the Free-Electron Laser at Hamburg (FLASH), used a special sample geometry, spectrographic energy dispersion, single shot position-sensitive detection and a data normalization proce...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Scientific Data
سال: 2021
ISSN: 2052-4463
DOI: 10.1038/s41597-021-00936-5