Results 11 to 20 of about 85,730 (276)

HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers

Journal of Synchrotron Radiation, 2022
HERMES, a graphical user interface software tool, is presented, for pre-processing X-ray absorption spectroscopy (XAS) data from laboratory Rowland circle spectrometers, to meet the data handling needs of a growing community of practice.
Marco E. Seddon-Ferretti, Lucy M. Mottram, Martin C. Stennett, Claire L. Corkhill, Neil C. Hyatt   +4 more
doaj   +1 more source

Finite-temperature effects on the x-ray absorption spectra of crystalline alumina from first principles

AIP Advances, 2023
By including phonon-assisted transitions within plane-wave density functional theory methods for calculating the x-ray absorption spectrum (XAS), we obtain the Al K-edge XAS at 300 K for two crystalline Al2O3 phases. The 300 K XAS reproduces the pre-edge
A. F. Harper, B. Monserrat, A. J. Morris
doaj   +1 more source

The Influences of Magnesium upon Calcium Phosphate Mineral Formation and Structure as Monitored by X-ray and Vibrational Spectroscopy

Soil Systems, 2020
Calcium phosphate minerals are typically the solubility-limiting phase for phosphate in calcareous soils. Magnesium (Mg), despite being present in high concentrations in calcareous soils, has been largely neglected in the study of formation and ...
David M. Hilger, Jordan G. Hamilton, Derek Peak   +2 more
doaj   +1 more source

CatMass: software for calculating optimal sample masses for X-ray absorption spectroscopy experiments involving complex sample compositions

Journal of Synchrotron Radiation, 2023
This paper presents software for calculating the optimal mass of samples with complex compositions (e.g. supported metal catalysts) for X-ray absorption spectroscopy (XAS) and scattering measurements.
Jorge E. Perez-Aguilar, Ash Caine, Simon R. Bare, Adam S. Hoffman   +3 more
doaj   +1 more source

High-spin state and magnetic coupling induced through interfacial orbital reconstruction observed in SrRuO3/LaNiO3 superlattice

Materials Research Letters, 2020
A high-spin state of SrRuO3 at the interface and large magnetic coupling were observed in SrRuO3/LaNiO3 superlattices. X-ray absorption spectroscopy and X-ray linear dichroism results show preferential occupation of the d3z2-r2 orbitals.
Peng Liu, Xingkun Ning
doaj   +1 more source

Phase stability and the arsenic vacancy defect in In_xGa_1-xAs [PDF]

, 2011
The introduction of defects, such as vacancies, into InxGa1-xAs can have a dramatic impact on the physical and electronic properties of the material. Here we employ ab initio simulations of quasirandom supercells to investigate the structure of InxGa1 ...
Chroneos, A., Grimes, R. W., Jiang, C., Murphy, S. T., Schwingenschlögl, U.   +4 more
core   +1 more source

Autonomous atomic Hamiltonian construction and active sampling of X-ray absorption spectroscopy by adversarial Bayesian optimization

npj Computational Materials, 2023
X-ray absorption spectroscopy (XAS) is a well-established method for in-depth characterization of electronic structure. In practice hundreds of energy-points should be sampled during the measurements, and most of them are redundant.
Yixuan Zhang, Ruiwen Xie, Teng Long, Damian Günzing, Heiko Wende, Katharina J. Ollefs, Hongbin Zhang   +6 more
doaj   +1 more source

Effect of InxAl1-xAs graded buffer materials on pseudomorphic InP HEMT

Frontiers in Materials, 2022
In this paper, The InxAl1-xAs graded buffer was inserted between the InAlAs buffer layer and the pseudomorphic In0.66Ga0.34As channel layer to improve material quality in channel.
Likun Ai, Fangkun Tian, Fangkun Tian, Anhuai Xu, Hua Huang, Ming Qi   +5 more
doaj   +1 more source

Turbo-XAS: dispersive XAS using sequential acquisition

Journal of Synchrotron Radiation, 1999
A new experimental technique for time-resolved X-ray absorption studies in the sub-second range has been successfully tested on the dispersive XAS beamline (ID24) at the ESRF. It consists of a sequential acquisition of energy points using the dispersive optics scheme installed on the beamline.
S. Pascarelli, T. Neisius, S. De Panfilis   +2 more
openaire   +1 more source

XPS and XMCD study of Fe3O4/GaAs interface [PDF]

, 2005
Ultrathin Fe oxide films of various thicknesses prepared by post-growth oxidation on GaAs(100) surface have been investigated with X-ray photoelectron spectroscopy (NPS), X-ray absorption spectroscopy (XAS), and X-ray magnetic circular dichroism (XMCD ...
Ahmad, E, Claydon, J S, Lu, Y X, Thompson, S M, van der Laan, G, Wilson, Karen, Xu, Y B   +6 more
core   +1 more source