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M. Weinert

Publications and source records attributed to M. Weinert.

At least 19 recordsLinked to original sources

Fresnel diffraction imaging of surface nanostructure using coherent resonant X-ray scattering

We investigated surface nanostructures on an antiferromagnet MnBi$_2$Te$_4$ using a novel imaging technique, direct (real)-space and real time coherent X-ray imaging (direct-CXI). This technique has provided new insights into antiferromagnetic textures, including the formation of anti-phase antiferromagnetic (AFM) domains and thermal dynamics of AFM domains and domain walls. While this method produces real-space images of AFM textures without requiring a complex imaging retrieval process, its underlying imaging mechanism has not been fully understood, limiting a deep understanding of AFM textures and the information they contain. By investigating the well-defined structural characteristics of the nanostructures fabricated on MnBi$_2$Te$_4$, we elucidate the imaging principle of this novel technique. We find that the observed images can be well explained by Fresnel diffraction integral. Using a simple model from classical optics, our calculations successfully reproduce the experimentally observed images of the nanostructures. This demonstrates that direct-CXI not only provides straightforward real-space imaging but also contains phase information through its Fresnel diffraction integral.

cond-mat.mtrl-sci

KPROJ: A Program for Unfolding Electronic and Phononic Bands

We introduce a program named KPROJ that unfolds the electronic and phononic band structure of materials modeled by supercells. The program is based on the $\textit{k}$-projection method, which projects the wavefunction of the supercell onto the ${\textbf{k}}$-points in the Brillouin zone of the artificial primitive cell. It allows for obtaining an effective "local" band structure by performing partial integration over the wavefunctions, e.g., the unfolded band structure with layer-projection for interfaces and the weighted band structure in the vacuum for slabs. The layer projection is accelerated by a scheme that combines the Fast Fourier Transform (FFT) and the inverse FFT algorithms. It is now interfaced with a few first-principles codes based on plane waves such as VASP, Quantum Espresso, and ABINIT. In addition, it also has interfaces with ABACUS, a first-principles simulation package based on numerical atomic basis sets, and PHONOPY, a program for phonon calculations.

cond-mat.mtrl-sci

Investigating timing properties of modern digitizers utilizing interpolating CFD algorithms and the application to digital fast-timing lifetime measurement

The performance of two implementations of digital real-time interpolating constant fraction discriminator algorithms with respect to fast-timing lifetime measurements are investigated. The implementations integrated in two different digitizers were evaluated in terms of the effects of tuning parameters of the digital CFDs and the influence of different input amplitudes on the time resolution and time walk characteristics. Reference is made to the existing analog standard of fast-timing techniques. The study shows, that the timing performance of both modules is comparable to established fast-timing setups using analog constant fraction discriminators, but with the added benefit of digital processing. Both digitizer modules were found to be highly effective and user-friendly instruments for modern fast-timing requirements.

physics.ins-det

Non-symmorphic symmetry and field-driven odd-parity pairing in CeRh$_2$As$_2$

Recently, evidence has emerged for a field-induced even- to odd-parity superconducting phase transition in CeRh$_2$As$_2$ [S. Khim et al., Science 373 1012 (2021)]. Here we argue that the P4/nmm non-symmorphic crystal structure of CeRh$_2$As$_2$ plays a key role in enabling this transition by ensuring large spin-orbit interactions near the Brillouin zone boundaries, which naturally leads to the required near-degeneracy of the even- and odd-parity channels. We further comment on the relevance of our theory to FeSe, which crystallizes in the same structure.

cond-mat.supr-con

Accessing the Single-Particle Structure of the Pygmy Dipole Resonance in $^{208}$Pb

New experimental data on the neutron single-particle character of the Pygmy Dipole Resonance (PDR) in $^{208}$Pb are presented. They were obtained from $(d,p)$ and resonant proton scattering experiments performed at the Q3D spectrograph of the Maier-Leibnitz Laboratory in Garching, Germany. The new data are compared to the large suite of complementary, experimental data available for $^{208}$Pb and establish $(d,p)$ as an additional, valuable, experimental probe to study the PDR and its collectivity. Besides the single-particle character of the states, different features of the strength distributions are discussed and compared to Large-Scale-Shell-Model (LSSM) and energy-density functional (EDF) plus Quasiparticle-Phonon Model (QPM) theoretical approaches to elucidate the microscopic structure of the PDR in $^{208}$Pb.

nucl-ex

Experimental techniques to study the $γ$ process for nuclear astrophysics at the Cologne accelerator laboratory

The nuclear astrophysics setup at the Institute for Nuclear Physics, University of Cologne, Germany is dedicated to measurements of total and partial cross sections of charged-particle induced reactions at astrophysically relevant energies. These observables are key ingredients for reaction network calculations of various stellar scenarios, and crucial for the understanding of the nucleosynthesis of elements. The experiments utilize the high-efficiency $γ$-ray spectrometer HORUS, and the 10 MV FN-Tandem accelerator. An updated target chamber as well as further experimental methods established in the last years will be presented which allow to measure cross sections down to the nb region. The reliability of the measured cross sections is proven by a $^{89}$Y(p,$γ$)$^{90}$Zr commissioning experiment. Additionally, an application for nuclear astrophysics will be presented. The results of a $^{93}$Nb(p,$γ$)$^{94}$Mo experiment will be discussed as well as their deviations compared to formerly reported results.

nucl-ex

On the interplay of paramagnetism and topology in the Fe-based High Tc Superconductors

The high Tc superconductor FeTe0.55Se0.45 has recently been shown to support a surface state with topological character. Here we use low-energy laser-based ARPES with variable light polarization, including both linear and circular polarization, to re-examine the same material and the related FeTe0.7Se0.3, with larger Te concentration. In both cases we observe the presence of a surface state displaying linear dispersion in a cone-like configuration. The use of circular polarization confirms the presence of helical spin structure. These experimental studies are compared with theoretical studies that account for the local magnetic effects related to the paramagnetism observed in this system in the normal state. In contrast to previous studies we find that including the magnetic contributions is necessary to bring the chemical potential of the calculated electronic band structure naturally into alignment with the experimental observations.

cond-mat.supr-con

Layer k-projection and unfolding electronic bands at interfaces

The k-projection method provides an approach to separate the contributions from different constituents in heterostructure systems and can act as an aid to connect the results of experiments and calculations. We show that the technique can be used to "unfold" the calculated electronic bands of interfaces and supercells, and provide local band structure by integrating the projected states over specified regions of space, a step that can be implemented efficiently using fast Fourier transforms. We apply the method to investigate the effects of interfaces in heterostructures consisting of a graphene bilayer on H-saturated SiC(0001), BAs monolayer on the ferromagnetic semiconductor CrI3, silicene on Ag(111), and to the Bi2Se3 surface. Our results reveal that the band structure of the graphene bilayer around the Dirac point is strongly dependent on the termination of SiC(0001): on the C face, the graphene is n doped and a gap of ~0.13 eV is opened, whereas, on the Si face, the graphene is essentially unchanged and neutral. We show that for BAs/CrI3, the magnetic proximity effect can effectively induce a spin splitting up to about 50 meV in BAs. For silicene/Ag(111), our calculations reproduce the angle-resolved photoemission spectroscopy results, including linearly dispersing bands at the edge of the first Brillouin zone of Ag(111); although these states result from the interaction between the silicene overlayer and the substrate, we demonstrate that they are not Dirac states.

cond-mat.mtrl-sci

Effects of magnetic dopants in (Li$_{0.8}$M$_{0.2}$OH)FeSe (M = Fe, Mn, Co): a density-functional theory study using band unfolding technique

The effects of Fe dopants in (Li$_{0.8}$Fe$_{0.2}$OH)FeSe on the electronic band structure are investigated by band unfolding ($k$-projection) technique based on first-principles supercell calculations. Doping 20\% Fe into the LiOH layers has significant effects on the band structure, that is, the Fe impurities doping electrons to the FeSe layers not only shift the Fermi level, but also induce substantial changes in the profile of bands around the Fermi level. However, the magnetic ordering in the dopants has minor effects on the band structure due to the fact that there is only a weak bonding between the LiOH and FeSe layers. Electronic bands for the surface FeSe layer show noticeable differences from those for inner layers in both the location of the Fermi level and details of the bands near the high symmetry points. The band structure for the surface FeSe layer where the Fe atoms are in checkerboard antiferromagnetic order is consistent with angle-resolved photoemission spectroscopy results. Mn and Co have similar doping effects on the band structure of (LiOH)FeSe.

cond-mat.mtrl-sci

Resilient nodeless $d$-wave superconductivity in monolayer FeSe

Monolayer FeSe exhibits the highest transition temperature among the iron based superconductors and appears to be fully gapped, seemingly consistent with $s$-wave superconductivity. Here, we develop a theory for the superconductivity based on coupling to fluctuations of checkerboard magnetic order (which has the same translation symmetry as the lattice). The electronic states are described by a symmetry based ${\bf k}\cdot {\bf p}$-like theory and naturally account for the states observed by angle resolved photoemission spectroscopy. We show that a prediction of this theory is that the resultant superconducting state is a fully gapped, nodeless, $d$-wave state. This state, which would usually have nodes, stays nodeless because, as seen experimentally, the relevant spin-orbit coupling term has an energy scale smaller than the superconducting gap.

cond-mat.supr-con

Combining γ-ray and particle spectroscopy with SONIC@HORUS

The particle spectrometer SONIC for particle-$γ$ coincidence measurements was commissioned at the Institute for Nuclear Physics in Cologne, Germany. SONIC consists of up to 12 silicon $\mathitΔE$-$E$ telescopes with a total solid angle coverage of 9%, and will complement HORUS, a $γ$-ray spectrometer with 14 HPGe detectors. The combined setup SONIC@HORUS is used to investigate the $γ$-decay behaviour of low-spin states up to the neutron separation threshold excited by light-ion inelastic scattering and transfer reactions using beams provided by a 10 MV FN Tandem accelerator. The particle-$γ$ coincidence method will be presented using data from a $^{92}$Mo(p,p'$γ$) experiment. In a $^{119}$Sn(d,X) experiment, excellent particle identification has been achieved because of the good energy resolution of the silicon detectors of approximately 20 keV. Due to the non-negligible momentum transfer in the reaction, a Doppler correction of the detected $γ$-ray energy has to be performed, using the additional information from measuring the ejectile energy and direction. The high sensitivity of the setup is demonstrated by the results from a $^{94}$Mo(p,p'$γ$) experiment, where small $γ$-decay branching ratios have been deduced.

physics.ins-det

Effects of interface oxygen vacancies on electronic bands of FeSe/SrTiO3(001)

Modifications of the electronic bands of thin FeSe films due to oxygen vacancies in the supporting SrTiO 3 (001) substrate - and the interplay with spin-orbit coupling, magnetism, and epitaxy - are investigated by first-principles supercell calculations. Unfolded (k-projected) bands show that the oxygen vacancies both provide electron doping to the interface FeSe layer and also have notable effects on the details of the bands around the Fermi level, including renormalizing the width of the Fe-3d band near the Fermi level by a factor of about 0.6, and causing a splitting of ~40 meV at the M point for the checkerboard antiferromagnetic configuration. For an FeSe bilayer, the modifications to the bands are mainly limited to the interface FeSe layer. While spin-orbit-coupling induced band splittings of ~30 meV at M for the ideal FeSe/SrTiO3 (001) interfaces are comparable to the splitting due to oxygen vacancies, the effects are not simply additive. Calculations and comparison to our scanning tunneling microscopy images of MBE-grown FeSe films on SrTiO3 (001) suggest that a common defect may be Se bound to an oxygen vacancy at the interface

cond-mat.mtrl-sci

Superconductivity in CuCl/Si: possible excitonic pairing?

The search for superconductivity with higher transition temperature ($T_C$) has long been a challenge in research efforts ever since its first discovery in 1911. The effort has led to the discovery of various kinds of superconductors and progress in the understanding of this intriguing phenomenon. The increase of $T_C$ has also evolved; however, the dream of realizing room-temperature superconductivity is far from reality. For superconductivity to emerge, the effective quasiparticle interaction should overcome the repulsive Coulomb interaction. This can be realized via lattice or spin degrees of freedom. An alternative pairing mechanism, the excitonic mechanism, was proposed 50 years ago, hoping to achieve higher $T_C$ than by phonon mediation. As none of physics principles has ever prevented excitonic pairing, the excitonic pairing mechanism is revisited here and we show that the effective quasiparticle interaction without lattice and spin can be attractive solely electronically.

cond-mat.supr-con

Designing substrates for silicene and germanene: First-principles calculations

We propose a guideline for exploring substrates that stabilize the monolayer honeycomb structure of silicene and germanene while simultaneously preserve the Dirac states: in addition to have a strong binding energy to the monolayer, a suitable substrate should be a large-gap semiconductor with a proper workfunction such that the Dirac point lies in the gap and far from the substrate states when their bands align. We illustrate our idea by performing first-principles calculations for silicene and germanene on the Al-terminated (0001) surface of Al2O3 . The overlaid monolayers on Al-terminated Al2O3(0001) retain the main structural profile of the low-buckled honeycomb structure via a binding energy comparable to the one between silicene and Ag(111). Unfolded band structure derived from the k-projection method reveals that gapped Dirac cone is formed at the K point due to the structural distortion and the interaction with the substrate. The gaps of 0.4 eV and 0.3 eV respectively for the supported silicene and germanene suggest that they may have potential applications in nanoelectronics.

cond-mat.mtrl-sci

Half-metallic Dirac cone in zigzag-graphene-nanoribbon/graphene

The Dirac electrons of graphene, an intrinsic zero gap semiconductor, uniquely carry spin and pseudospin that give rise to many fascinating electronic and transport properties. While isolated zigzag graphene nanoribbons are antiferromagnetic semiconductors, we show by means of first-principles and tight-binding calculations that zigzag graphene nanoribbons supported on graphene are half-metallic as a result of spin- and pseudospin-symmetry breaking. In particular, half-metallic Dirac cones are formed at K (K') near the Fermi level. The present results demonstrate that the unique combination of spin and pseudospin in zigzag graphene nanoribbons may be used to manipulate the electronic properties of graphene, and may have practical implications for potential graphene-based nanoelectronic applications.

cond-mat.mtrl-sci

Spin-Orbit Interactions and the Nematicity Observed in the Fe-Based Superconductors

High-resolution angle-resolved photoelectron spectroscopy is used to examine the electronic band structure of FeTe$_{0.5}$Se$_{0.5}$ near the Brillouin zone center. A consistent separation of the $α_{1}$ and $α_{2}$ bands is observed with little $k_{z}$ dependence of the $α_{1}$ band. First-principles calculations for bulk and thin films demonstrate that the antiferromagnetic coupling between the Fe atoms and hybridization-induced spin-orbit effects lifts the degeneracy of the Fe $d_{xz}$ and $d_{yz}$ orbitals at the zone center leading to orbital ordering. These experimental and computational results provide a natural microscopic basis for the nematicity observed in the Fe-based superconductors.

cond-mat.str-el

Pairing of j=3/2 fermions in half-Heusler superconductors

We theoretically consider the superconductivity of the topological half-Heusler semimetals YPtBi and LuPtBi. We show that pairing occurs between j=3/2 fermion states, which leads to qualitative differences from the conventional theory of pairing between j=1/2 states. In particular, this permits Cooper pairs with quintet or septet total angular momentum, in addition to the usual singlet and triplet states. Purely on-site interactions can generate s-wave quintet time-reversal symmetry-breaking states with topologically nontrivial point or line nodes. These local s-wave quintet pairs reveal themselves as d-wave states in momentum space. Furthermore, due to the broken inversion symmetry in these materials, the s-wave singlet state can mix with a p-wave septet state, again with topologically-stable line nodes. Our analysis lays the foundation for understanding the unconventional superconductivity of the half-Heuslers.

cond-mat.supr-con

Revealing the substrate origin of the linear dispersion of silicene/Ag(111)

The band structure of the recently synthesized (3$\times$3) silicene monolayer on (4$\times$4) Ag(111) is investigated using density functional theory. A $k$-projection technique that includes the $k_\bot$-dependence of the surface bands is used to separate the contributions arising from the silicene and the substrate, allowing a consistent comparison between the calculations and the angle-resolved photoemission experiments. Our calculations not only reproduce the observed gap and linear dispersion across the K point of (1$\times$1) silicene, but also demonstrate that these originate from the $k_\bot$-dependence of Ag(111) substrate states (modified by interactions with the silicene) and \textit{not} from a Dirac state.

cond-mat.mtrl-sci