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Topological materials discovery has emerged as an important frontier in condensed matter physics. While theoretical classification frameworks have been used to identify thousands of candidate topological materials, experimental…

X-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an…

Materials Science · Physics 2019-03-27 Matthew R. Carbone , Shinjae Yoo , Mehmet Topsakal , Deyu Lu

X-ray absorption fine structure (XAFS) and x-ray emission spectroscopy (XES) are advanced x-ray spectroscopies that impact a wide range of disciplines. However, unlike the majority of other spectroscopic methods, XAFS and XES are…

X-ray Absorption Spectroscopy (XAS) is a powerful technique for probing local atomic environments, yet its interpretation remains limited by the need for expert-driven analysis, computationally expensive simulations, and element-specific…

Machine Learning · Computer Science 2025-08-27 Yufeng Wang , Peiyao Wang , Lu Wei , Lu Ma , Yuewei Lin , Qun Liu , Haibin Ling

A novel method and experimental configuration are proposed that allow the collection of high-quality X-ray absorption spectroscopy (XAS) data in transmission mode on a standard laboratory diffractometer. This configuration makes use of…

Instrumentation and Detectors · Physics 2025-09-23 Milen Gateshki , Charalampos Zarkadas , Detlef Beckers

X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be…

Applied Physics · Physics 2025-04-25 Ming Du , Mark Wolfman , Chengjun Sun , Shelly D. Kelly , Mathew J. Cherukara

X-ray Absorption Spectroscopy (XAS) is a widely used X-ray diagnostic method. While synchrotrons have large communities of XAS users, its use on X-Ray Free Electron Lasers (XFEL) facilities has been rather limited. At a first glance, the…

Instrumentation and Detectors · Physics 2020-05-05 M. Harmand , M. Cammarata , M. Chollet , A. G Krygier , H. T. Lemke , D. Zhu

X-ray absorption spectroscopy (XAS) is a powerful and well established technique with sensitivity to elemental and chemical composition. Despite these advantages, its implementation has not kept pace with the development of ultrafast pulsed…

X-ray absorption spectroscopy (XAS) is a powerful technique to probe the electronic and structural properties of materials. With the rapid growth in both the volume and complexity of XAS datasets driven by advancements in synchrotron…

Computational Physics · Physics 2025-02-25 Xue Han , Haodong Yao , Fei Zhan , Xueqi Song , Junfang Zhao , Haifeng Zhao

X-ray absorption spectroscopy (XAS) is a powerful experimental technique to probe the local order in materials with core electron excitations. Experimental interpretation requires supporting theoretical calculations. For water, these…

Computational Physics · Physics 2022-05-17 Fujie Tang , Zhenglu Li , Chunyi Zhang , Steven G. Louie , Roberto Car , Diana Y. Qiu , Xifan Wu

This paper provides a brief overview of applications of advanced X-ray spectroscopic techniques that take advantage of the resonant inelastic X-ray scattering (RIXS) in the hard and tender x-ray range and have recently become available for…

Materials Science · Physics 2014-01-08 K. O. Kvashnina , S. M. Butorin

X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive,…

Materials Science · Physics 2025-04-16 Shubha R. Kharel , Fanchen Meng , Xiaohui Qu , Matthew R. Carbone , Deyu Lu

We report a new theoretical method for X-ray absorption spectroscopy (XAS) in condensed matter which is based on the multi-channel multiple scattering theory of Natoli et al. and the eigen-channel R-matrix method. While the highly flexible…

Materials Science · Physics 2009-11-10 Peter Krüger , Calogero R. Natoli

A method of using X-ray absorption spectroscopy (XAS) together with resolved grazing incidence geometry for depth profiling atomic, electronic, chemical or magnetic local structures in thin films is presented. The quantitative deconvolution…

X-ray absorption spectroscopy yields direct access to the electronic and geometric structure of hybrid inorganic-organic interfaces formed upon adsorption of complex molecules at metal surfaces. The unambiguous interpretation of…

Chemical Physics · Physics 2017-06-19 Katharina Diller , Reinhard J. Maurer , Moritz Müller , Karsten Reuter

Exploring and understanding ultrafast processes at the atomic level is a scientific challenge. Femtosecond X-ray Absorption Spectroscopy (XAS) is an essential experimental probing technic, as it can simultaneously reveal both electronic and…

Resonant X-ray scattering (RXS) is a spectroscopy where both the power of site selective diffraction and the power of local absorption spectroscopy regarding atomic species are combined. By virtue of the dependence on the core level state…

Materials Science · Physics 2007-11-12 Yves Joly , Elena S. Nazarenko , José-Emilio Lorenzo , Sergio Di Matteo , Calogero R. Natoli

This paper makes a comparison between x-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) in the rare earths. Atomic calculations are given for 2p -> 4f and 2p -> 5d XAS. The latter calculation includes the contraction and…

Materials Science · Physics 2009-10-30 Michel van Veenendaal , Robert Benoist

X-ray absorption spectroscopy (XAS) is a commonly-employed technique for characterizing functional materials. In particular, x-ray absorption near edge spectra (XANES) encodes local coordination and electronic information and machine…

Transition metal oxides (TMOs) exhibit a broad spectrum of electronic, magnetic, and optical properties, making them intriguing materials for various technological applications. Soft x-ray absorption spectroscopy (XAS) is widely used to…

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