相关论文: Theory of x-ray absorption spectroscopy for ferrit…
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…
Using density functional theory (DFT) methods, we have calculated X-ray absorption spectroscopy (XAS) and X-ray circular dichroism (XMCD) spectra in bulk and thin films of Fe$_3$GeTe$_2$, CrI$_3$, and CrGeTe$_3$. DFT+$U$ methods are…
Operando X-ray absorption spectroscopy (XAS) can probe the electrode-electrolyte interface with single-digit nanometer depth resolution and offers a wealth of insight into the evolution and Coulombic efficiency or degradation of prototype…
X-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD) spectra at the L$_{2,3}$ edges of Mn in (Ge,Mn) compounds have been measured and are compared to the results of first principles calculation. Early \textit{ab initio}…
The theoretical description of photoemission spectra of transition metals was greatly improved recently by accounting for the correlations between the d electrons within the local spin density approximation (LSDA) plus dynamical mean field…
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…
This chapter introduces the use of X-ray absorption spectroscopy (XAS) in studying the local electronic and atomic structure of high-entropy materials. The element selectivity of XAS makes it particularly suitable to address the challenges…
Electrolyte-based transistors utilizing ionic liquids/gels have been highly successful in the study of charge-density-controlled phenomena, particularly in oxides. Experimental probes beyond transport have played a significant role, despite…
We have measured the X-ray absorption (XAS) and X-ray magnetic circular dichroism (XMCD)at the Mn L3,2 edges in ferromagnetic Ga1-xMnxP for 0.018<x<0.042. Large XMCD asymmetries at the L3 edge indicate significant spin-polarization of the…
The PAW method has been used to compute the iron L$_{2,3}$ edges of x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism (XMCD) of the spin-crossover Fe(phen)$_{2}$(NCS)$_{2}$ molecule when adsorbed on Cu(001) surface and in…
X-ray free-electron lasers (XFELs) have been widely used for applications such as X-ray crystallography and magnetic spin probes because of their unprecedented performance. Recently, time-resolved X-ray magnetic circular dichroism (XMCD)…
Hematite $\alpha$-Fe$_2$O$_3$ is a $g$-wave altermagnetic material, which has an easy-axis phase and easy-plane weak ferromagnetic phase below and above Morin transition temperature, respectively. The presence of these phases renders it a…
An implementation of the multiple-scattering approach to x-ray magnetic circular dichroism (XMCD) in K-edge x-ray absorption spectroscopy is presented. The convergence problems due to the cluster size and the relativistic corrections are…
We report a combined study for the electronic structures of ferromagnetic CeAgSb$_2$ using soft X-ray absorption (XAS), magnetic circular dichroism (XMCD), and angle-resolved photoemission (ARPES) spectroscopies. The Ce $M_{4, 5}$ XAS…
Widely employed Near-Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy probes a system by excitation of core electrons to unoccupied states. A variety of different methodologies are available to simulate corresponding spectra from…
Recent advances using Density Functional Theory (DFT) to augment Multiplet Ligand Field Theory (MLFT) have led to ab-initio calculations of many formerly empirical parameters. This development makes MLFT more predictive instead of…
X-ray magnetic circular dichroism (XMCD) and resonant inelastic X-ray scattering with magnetic circular dichroism (RIXS-MCD) provide unparalleled insights into the electronic and magnetic dynamics of complex materials. Yet, their spectra…
To investigate the x-ray absorption (XAS) branching ratio from the core 4d to valence 5f states, we set up a theoretical framework by using a combination of density functional theory in the local density approximation and Dynamical Mean…
We have measured the X-ray absorption (XAS) and X-ray magnetic circular dichroism (XMCD) at the Mn L3,2 edges in ferromagnetic Ga1-xMnxP films for 0.018<x<0.042. Large XMCD asymmetries at the L3 edge indicate significant spin-polarization…
We report on the results of x-ray absorption (XAS), x-ray magnetic circular dichroism (XMCD), and photoemission experiments on {\it n}-type Zn$_{1-x}$Co$_x$O ($x=0.05$) thin film, which shows ferromagnetism at room temperature. The XMCD…