arXiv subjects

T. Kroll

Publications and source records attributed to T. Kroll.

11 recordsLinked to original sources

arXiv2021

The relativistic 5f electronic structure of delocalized $\alpha$-U and localized $\delta$-Pu from the self consistent vertex corrected GW approach and X-ray Emission Spectroscopy

The recently developed self-consistent vertex corrected GW method is used to calculate the 5f electronic structure in delocalized $\alpha$-U and localized $\delta$-Pu, each of which is confirmed by the historical experimental approaches of direct and inverse photoemission. Tender X-Ray Emission Spectroscopy (XES), in a novel application to 5f electronic structure, is used to experimentally prove the existence of 5f delocalization in $\alpha$-U.

cond-mat.mtrl-sci↗

arXiv2019

Hammerhead, an ultrahigh resolution ePix camera for wavelength-dispersive spectrometers

Wavelength-dispersive spectrometers (WDS) are often used in synchrotron and FEL applications where high energy resolution (in the order of eV) is important. Increasing WDS energy resolution requires increasing spatial resolution of the detectors in the dispersion direction. The common approaches with strip detectors or small pixel detectors are not ideal. We present a novel approach, with a sensor using rectangular pixels with a high aspect ratio (between strips and pixels, further called "strixels"), and strixel redistribution to match the square pixel arrays of typical ASICs while avoiding the considerable effort of redesigning ASICs. This results in a sensor area of 17.4 mm x 77 mm, with a fine pitch of 25 $\mu$m in the horizontal direction resulting in 3072 columns and 176 rows. The sensors use ePix100 readout ASICs, leveraging their low noise (43 e$^-$, or 180 eV rms). We present results obtained with a Hammerhead ePix100 camera, showing that the small pitch (25 $\mu$m) in the dispersion direction maximizes performance for both high and low photon occupancies, resulting in optimal WDS energy resolution. The low noise level at high photon occupancy allows precise photon counting, while at low occupancy, both the energy and the subpixel position can be reconstructed for every photon, allowing an ultrahigh resolution (in the order of 1 $\mu$m) in the dispersion direction and rejection of scattered beam and harmonics. Using strixel sensors with redistribution and flip-chip bonding to standard ePix readout ASICs results in ultrahigh position resolution ($\sim$1 $\mu$m) and low noise in WDS applications, leveraging the advantages of hybrid pixel detectors (high production yield, good availability, relatively inexpensive) while minimizing development complexity through sharing the ASIC, hardware, software and DAQ development with existing versions of ePix cameras.

physics.ins-det↗

arXiv2018

Strong neutron pairing in core+4n nuclei

The emission of neutron pairs from the neutron-rich $N\!=\!12$ isotones $^{18}$C and $^{20}$O has been studied by high-energy nucleon knockout from $^{19}$N and $^{21}$O secondary beams, populating unbound states of the two isotones up to 15~MeV above their two-neutron emission thresholds. The analysis of triple fragment-$n$-$n$ correlations shows that the decay $^{19}$N$(-1p)^{18}$C$^*\!\rightarrow^{16}$C+$n$+$n$ is clearly dominated by direct pair emission. The two-neutron correlation strength, the largest ever observed, suggests the predominance of a $^{14}$C core surrounded by four valence neutrons arranged in strongly correlated pairs. On the other hand, a significant competition of a sequential branch is found in the decay $^{21}$O$(-1n)^{20}$O$^*\!\rightarrow^{18}$O+$n$+$n$, attributed to its formation through the knockout of a deeply-bound neutron that breaks the $^{16}$O core and reduces the number of pairs.

nucl-ex↗

arXiv2016

The mutable nature of particle-core excitations with spin in the one-valence-proton nucleus 133Sb

The gamma-ray decay of excited states of the one-valence-proton nucleus 133Sb has been studied using cold-neutron induced fission of 235U and 241Pu targets, during the EXILL campaign at the ILL reactor in Grenoble. By using a highly efficient HPGe array, coincidences between gamma-rays prompt with the fission event and those delayed up to several tens of microseconds were investigated, allowing to observe, for the first time, high-spin excited states above the 16.6 micros isomer. Lifetimes analysis, performed by fast-timing techniques with LaBr3(Ce) scintillators, reveals a difference of almost two orders of magnitude in B(M1) strength for transitions between positive-parity medium-spin yrast states. The data are interpreted by a newly developed microscopic model which takes into account couplings between core excitations (both collective and non-collective) of the doubly magic nucleus 132Sn and the valence proton, using the Skyrme effective interaction in a consistent way. The results point to a fast change in the nature of particle-core excitations with increasing spin.

nucl-ex↗

arXiv2010

Effective Hamiltonian for transition-metal compounds. Application to Na_xCoO_2

We describe a simple scheme to construct a low-energy effective Hamiltonian H_eff for highly correlated systems containing non-metals like O, P or As (O in what follows) and a transition-metal (M) as the active part in the electronic structure, eliminating the O degrees of freedom from a starting Hamiltonian that contains all M d orbitals and all non-metal p orbitals. We calculate all interaction terms between d electrons originating from Coulomb repulsion, as a function of three parameters (F_0, F_2 and F_4) and write them in a basis of orbitals appropriate for cubic, tetragonal, tetrahedral or hexagonal symmetry around M. The approach is based on solving exactly (numerically if necessary) a MO_n cluster containing the transition-metal atom and its n nearest O atoms (for example a CoO_6 cluster in the case of the cobaltates, or a CuO_n cluster in the case of the cuprates, in which n depends on the number of apical O atoms), and mapping them into many-body states of the same symmetry containing d holes only. We illustrate the procedure for the case of Na_xCoO_2. The resulting H_eff, including a trigonal distortion D, has been studied recently and its electronic structure agrees well with angle-resolved photoemission spectra [A. Bourgeois, A. A. Aligia, and M. J. Rozenberg, Phys. Rev. Lett. 102, 066402 (2009)]. Although H_eff contains only 3d t_2g holes, the highly correlated states that they represent contain an important amount not only of O 2p holes but also of 3d e_g holes. When more holes are added, a significant redistribution of charge takes place. As a consequence of these facts, the resulting values of the effective interactions between t_2g states are smaller than previously assumed, rendering more important the effect of D in obtaining only one sheet around the center of the Brillouin zone for the Fermi surface (without additional pockets).

cond-mat.str-el↗

arXiv2008

On the electronic structure of electron doped LaOFeAs as seen by X-ray absorption spectroscopy

We investigated the recently found superconductor LaO_{1-x}F_xFeAs by X-ray absorption spectroscopy (XAS). From a comparison of the O K-edge with LDA calculations we find good agreement and are able to explain the structure and changes of the spectra with electron doping. An important result from this edge is a limitation of the Hubbard U to values not significantly larger than 1 eV. From experimental Fe L_2,3-edge spectra and charge transfer multiplet calculations we gain further information on important physical values such as hopping parameters, the charge transfer energy Delta, and the on-site Hubbard U. Furthermore we find the system to be very covalent with a large amount of ligand holes. A shift in the chemical potential is visible in the O K- and Fe L_2,3-edge spectra which emphasizes the importance of band effects in these compounds.

cond-mat.supr-con↗

arXiv2006

Electronic structure and Fermi surface tolopogy of Na$_x$CoO$_2$

We construct an effective Hamiltonian for the motion of T2g highly correlated states in NaxCoO2. We solve exactly a multiband model in a CoO6 cluster with electronic occupation corresponding to a nominal Co valence of either +3 or +4. Using the ensuing ground states, we calculate the effective O mediated hopping t=0.10 eV between many-body T2g states, and estimate the direct hopping t'~0.04 eV. The trigonal splitting 3D=0.315 eV is taken from recent quantum chemistry calculations. The resulting effective Hamiltonian is solved using a generalized slave-boson mean-field approximation. The results show a significant band renormalization and a Fermi surface topology that agrees with experiment, in contrast to predictions using the local-density approximation.

cond-mat.str-el↗

arXiv2006

Quasiparticle dispersion near the Fermi surface in Na$_x$CoO$_2$

We construct an effective Hamiltonian for the motion of t2g highly correlated states in NaxCoO2. This three-band model includes the indirect Co-O-Co hopping t and the crystal-field splitting 3D. Calculations in a CoO6 cluster give the effective parameters t=100 meV and 3D=315 meV. The Hamiltonian is solved using a generalized slave-boson mean-field approximation. The results show a significant band renormalization. Without any additional hypothesis, the dispersion of the bands near the Fermi energy and Fermi surface topology agrees with angle-resolved photoemission experiments, in contrast to predictions using the local-density approximation.

cond-mat.str-el↗

arXiv2006

X-ray absorption spectroscopy on layered cobaltates Na_xCoO_2

Measurements of polarization and temperature dependent soft x-ray absorption have been performed on Na_xCoO_2 single crystals with x=0.4 and x=0.6. They show a deviation of the local trigonal symmetry of the CoO_6 octahedra, which is temperature independent in a temperature range between 25 K and 372 K. This deviation was found to be different for Co^{3+} and Co^{4+} sites. With the help of a cluster calculation we are able to interpret the Co L_{23}-edge absorption spectrum and find a doping dependent energy splitting between the t_{2g} and the e_g levels (10Dq) in Na_xCoO_2.

cond-mat.str-el↗

arXiv2006

Polarization dependence of x-ray absorption spectra in Na_xCoO_2

In order to shed light on the electronic structure of Na_xCoO_2, and motivated by recent Co L-edge X-ray absorption spectra (XAS) experiments with polarized light, we calculate the electronic spectrum of a CoO_6 cluster including all interactions between 3d orbitals. We obtain the ground state for two electronic occupations in the cluster that correspond nominally to all O in the O^{-2} oxidation state, and Co^{+3} or Co^{+4}. Then, all excited states obtained by promotion of a Co 2p electron to a 3d electron, and the corresponding matrix elements are calculated. A fit of the observed experimental spectra is good and points out a large Co-O covalency and cubic crystal field effects, that result in low spin Co 3d configurations. Our results indicate that the effective hopping between different Co atoms plays a major role in determining the symmetry of the ground state in the lattice. Remaining quantitative discrepancies with the XAS experiments are expected to come from composition effects of itineracy in the ground and excited states.

cond-mat.str-el↗

arXiv2002

Ising magnets with mobile defects

Motivated by recent experiments on cuprates with low-dimensional magnetic interactions, a new class of two-dimensional Ising models with short-range interactions and mobile defects is introduced and studied. The non-magnetic defects form lines, which, as temperature increases, first meander and then become unstable. Using Monte Carlo simulations and analytical low- and high-temperature considerations, the instability of the defect stripes is monitored for various microscopic and thermodynamic quantities in detail for a minimal model, assuming some of the couplings to be indefinitely strong. The robustness of the findings against weakening the interactions is discussed as well.

cond-mat↗