X-Ray Magnetic Circular Dichroism in Altermagnetic α-MnTe.

Altermagnetism is a recently identified magnetic symmetry class combining characteristics of conventional collinear ferromagnets and antiferromagnets, that were regarded as mutually exclusive, and enabling phenomena and functionalities unparalleled in either of the two traditional elementary magnetic classes. In this work we use symmetry, ab initio theory, and experiments to explore x-ray magnetic circular dichroism (XMCD) in the altermagnetic class. As a representative material for our XMCD study we choose α-MnTe with compensated antiparallel magnetic order in which an anomalous Hall effect has been already demonstrated.

Modulation-doping a correlated electron insulator.

Correlated electron materials (CEMs) host a rich variety of condensed matter phases. Vanadium dioxide (VO) is a prototypical CEM with a temperature-dependent metal-to-insulator (MIT) transition with a concomitant crystal symmetry change. External control of MIT in VO-especially without inducing structural changes-has been a long-standing challenge.

Kondo quasiparticle dynamics observed by resonant inelastic x-ray scattering.

Effective models focused on pertinent low-energy degrees of freedom have substantially contributed to our qualitative understanding of quantum materials. An iconic example, the Kondo model, was key to demonstrating that the rich phase diagrams of correlated metals originate from the interplay of localized and itinerant electrons. Modern electronic structure calculations suggest that to achieve quantitative material-specific models, accurate consideration of the crystal field and spin-orbit interactions is imperative.

Charge-transfer effect in Fe 2core-level x-ray photoemission spectra of trivalent Fe oxides: LDA + DMFT study.

Motivated by recent hard x-ray photoemission spectroscopy (XPS) experiment for trivalent Fe oxides SrFeMoO(ferrimagnetic correlated metal) and LaFeO(antiferromagnetic Mott insulator) (Phuyal2021C11249-56), we present a theoretical analysis of the Fe 2core-level spectra using a computational method based on local density approximation combined with dynamical mean-field theory. We find that a nonlocal screening (NLS) effect in the XPS final states is crucial for interpreting the experimental XPS result of both the Fe oxides. A close relationship between the NLS feature in core-level spectra and a long-range magnetic ordering is emphasized.

Analyzing the Local Electronic Structure of CoO Using 2p3d Resonant Inelastic X-ray Scattering.

We present the cobalt 2p3d resonant inelastic X-ray scattering (RIXS) spectra of CoO. Guided by multiplet simulation, the excited states at 0.5 and 1.

Metamagnetic Behavior in a Quadruple Perovskite Oxide.

A cubic quadruple perovskite oxide CeMnCrO has been synthesized under high-pressure and high-temperature conditions of 8 GPa and 1273 K. The X-ray absorption spectroscopy reveals that the Ce ions are in a trivalent state, as represented by the ionic model of CeMnCrO. The magnetic study demonstrates three independent antiferromagnetic transitions attributed to Ce (∼10 K), Mn (46 K), and Cr (133 K) ions.

Electronic and crystal structures ofFeAsOH(= La, Sm) studied by x-ray absorption spectroscopy, x-ray emission spectroscopy, and x-ray diffraction: II pressure dependence.

We examine electronic and crystal structures of iron-based superconductorsFeAsOH(= La, Sm) under pressure by means of x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES), and x-ray diffraction. In LaFeAsO the pre-edge peak on high-resolution XAS at the Fe-absorption edge gains in intensity on the application of pressure up to 5.7 GPa and it saturates in the higher pressure region.

Electronic and crystal structures ofFeAsOH(= La, Sm) studied by x-ray absorption spectroscopy, x-ray emission spectroscopy, and x-ray diffraction (part I: carrier-doping dependence).

A carrier doping by a hydrogen substitution in LaFeAsOHis known to cause two superconducting (SC) domes with the magnetic order at both end sides of the doping. In contrast, SmFeAsOHhas a similar phase diagram but shows single SC dome. Here, we investigated the electronic and crystal structures for iron oxynitrideFeAsOH(= La, Sm) with the range of= 0-0.

A Sequential Electron Doping for Quadruple Perovskite Oxides CuCoO ( = Ca, Y, Ce).

A novel quadruple perovskite oxide CeCuCoO has been synthesized in high-pressure and high-temperature conditions of 12 GPa and 1273 K. Rietveld refinement of the synchrotron X-ray powder diffraction pattern reveals that this oxide crystallizes in a cubic quadruple perovskite structure with the 1:3-type ordering of Ce and Cu ions at the -site. X-ray absorption spectroscopy analysis demonstrates the valence-state transitions in the CuCoO series ( = Ca, Y, Ce) from CaCuCoO to YCuCoO to CeCuCoO, where the electrons are doped in the order from -site (Co → Co) to '-site (Cu → Cu).

Collective Modes in Excitonic Magnets: Dynamical Mean-Field Study.

We present a dynamical mean-field study of dynamical susceptibilities in the two-band Hubbard model. Varying the model parameters we analyze the two-particle excitations in the normal as well as in the ordered phase, an excitonic condensate. The two-particle dynamical mean-field theory spectra in the ordered phase reveal the gapless Goldstone modes arising from spontaneous breaking of continuous symmetries.

Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-Ray Scattering.

We present a theoretical investigation of the origin of Raman-like and fluorescencelike (FL) features of resonant inelastic x-ray scattering (RIXS) spectra. Using a combination of local-density approximation+dynamical mean-field theory and a configuration interaction solver for Anderson impurity model, we calculate the L-edge RIXS and x-ray absorption spectra of high-valence transition-metal oxides LaCuO_{3} and NaCuO_{2}. We analyze in detail the behavior of the FL feature and show how it is connected to the details of electronic and crystal structure.

High-pressure synthesis, crystal structure, and unusual valence state of novel perovskite oxide CaCu3Rh4O12.

A novel perovskite oxide, CaCu3Rh4O12, has been synthesized under high-pressure and high-temperature conditions (15 GPa and 1273 K). Rietveld refinement of synchrotron X-ray powder diffraction data indicates that this compound crystallizes in a cubic AA'3B4O12-type perovskite structure. Synchrotron X-ray absorption and photoemission spectroscopy measurements reveal that the Cu and Rh valences are nearly trivalent.