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S. Heinze

Publications and source records attributed to S. Heinze.

At least 19 recordsLinked to original sources

Moderately Discontinuous Homotopy

We introduce a metric homotopy theory, which we call Moderately Discontinuous Homotopy, designed to capture Lipschitz properties of metric singular subanalytic germs. It matches with the Moderately Discontinuous Homology theory receantly developed by the authors and E. Sampaio. The $k$-th MD homotopy group is a group $MDH^b_\bullet$ for any $b\in [1,\infty]$ together with homomorphisms $MDπ^b\to MDπ^{b'}$ for any $b\geq b'$. We develop all its basic properties including finite presentation of the groups, long homology sequences of pairs, metric homotopy invariance, Seifert-van Kampen Theorem and the Hurewicz isomorphism Theorem. We prove comparison theorems that allow to relate the metric homotopy groups with topological homotopy groups of associated spaces. For $b=1$ it recovers the homotopy groups of the tangent cone for the outer metric and of the Gromov tangent cone for the inner one. In general, for $b=\infty$ the $MD$-homotopy recovers the homotopy of the punctured germ. Hence, our invariant can be seen as an algebraic invariant interpolating the homotopy from the germ to its tangent cone. We end the paper with a full computation of our invariant for any normal surface singularity for the inner metric. We also provide a full computation of the MD-Homology in the same case.

math.AG

Stacking-dependent spin interactions in Pd/Fe bilayers on Re(0001)

Using spin-polarized scanning tunneling microscopy and density functional theory, we have studied the magnetic properties of Pd/Fe atomic bilayers on Re(0001). Two kinds of magnetic ground states are discovered due to different types of stacking of the Pd adlayer on Fe/Re(0001). For fcc-stacking of Pd on Fe/Re(0001), it is a spin spiral propagating along the close-packed direction with a period of about 0.9 nm, driven by frustrated exchange and Dzyaloshinskii-Moriya interactions. For the hcp stacking, the higher-order exchange interactions stabilize an uudd (up-up-down-down) state propagating perpendicular to the close-packed direction with a period of about 1.0 nm.

cond-mat.mes-hall

Analytical results for Green's functions of lattice fermions

We present a further development of methods for analytical calculations of Green's functions of lattice fermions based on recurrence relations. Applying it to tight-binding systems and topological superconductors in different dimensions we obtain a number of new results. In particular we derive an explicit expression for arbitrary Green's function of an open Kitaev chain and discover non-local fermionic corner states in a 2D p-wave superconductor.

cond-mat.mes-hall

Enhanced skyrmion stability due to exchange frustration

Skyrmions are localized, topologically non-trivial spin structures which have raised high hopes for future spintronic applications. A key issue is skyrmion stability with respect to annihilation into the ferromagnetic state. Energy barriers for this collapse have been calculated taking only nearest neighbor exchange interactions into account. Here, we demonstrate that exchange interactions beyond nearest neighbors can be essential to describe stability of skyrmionic spin structures. We focus on the prototypical film system Pd/Fe/Ir(111) and demonstrate that an effective nearest-neighbor exchange or micromagnetic model can only account for equilibrium properties such as the skyrmion profile or the zero temperature phase diagram. However, energy barriers and critical fields of skyrmion collapse as well as skyrmion lifetimes are drastically underestimated since the energy of the transition state cannot be accurately described. Antiskyrmions are not even metastable. Our work shows that frustration of exchange interactions is a route towards enhanced skyrmion stability even in systems with a ferromagnetic ground state.

cond-mat.mtrl-sci

Engineering skyrmions in transition-metal multilayers for spintronics

Magnetic skyrmions are localized, topologically protected spin-structures that have been proposed for storing or processing information due to their intriguing dynamical and transport properties. Important in terms of applications is the recent discovery of interface stabilized skyrmions as evidenced in ultra-thin transition-metal films. However, so far only skyrmions at interfaces with a single atomic layer of a magnetic material were reported, which greatly limits their potential for application in devices. Here, we predict the emergence of skyrmions in [4d/Fe_2/5d]_n multilayers, i.e. structures composed of Fe biatomic layers sandwiched between 4d- and 5d-transition-metal layers. In these composite structures, the exchange and the Dzyaloshinskii-Moriya interactions which control skyrmion formation can be tuned separately by the two interfaces. This allows engineering skyrmions as shown based on density functional theory and spin dynamics simulations.

cond-mat.mtrl-sci

Novel type of atomic-scale spin lattice at a surface and its emergent Hall effect

We predict the occurrence of a novel type of atomic-scale spin lattice in an Fe monolayer on the Ir(001) surface. Based on density functional theory calculations we parametrize a spin Hamiltonian and solve it numerically using Monte-Carlo simulations. We find the stabilization of a three-dimensional spin structure arranged on a 3x3 lattice. Despite an almost vanishing total magnetization we predict the emergence of a large anomalous Hall effect, to which there is a significant topological contribution purely due to the real space spin texture at the surface.

cond-mat.mes-hall

Seniority in quantum many-body systems. I. Identical particles in a single shell

A discussion of the seniority quantum number in many-body systems is presented. The analysis is carried out for bosons and fermions simultaneously but is restricted to identical particles occupying a single shell. The emphasis of the paper is on the possibility of {\em partial} conservation of seniority which turns out to be a peculiar property of spin-9/2 fermions but prevalent in systems of interacting bosons of any spin. Partial conservation of seniority is at the basis of the existence of seniority isomers, frequently observed in semi-magic nuclei, and also gives rise to peculiar selection rules in one-nucleon transfer reactions.

nucl-th

Complex trend of magnetic order in Fe clusters on 4$d$ transition-metal surfaces

We demonstrate the occurrence of compensated spin configurations in Fe clusters and monolayers on Ru(0001) and Rh(111) by a combination of X-ray magnetic circular dichroism experiments and first-principles calculations. Our results reveal complex intra-cluster exchange interactions which depend strongly on the substrate 4$d$-band filling, the cluster geometry as well as lateral and vertical structural relaxations. The importance of substrate 4$d$-band filling manifests itself also in small nearest-neighbor exchange interactions in Fe dimers and in an nearly inverted trend of the Ruderman-Kittel-Kasuya-Yosida coupling constants for Fe adatoms on the Ru and Rh surface.

cond-mat.mtrl-sci

Unexpected trend of exchange interactions in Fe clusters on Rh(111) and Ru(0001)

We use first-principles calculations based on density functional theory to investigate the magnetic exchange interaction of Fe clusters on Rh(111) and Ru(0001). We consider dimers, trimers, tetramers, and pentamers of different shape in fcc and hcp stacking as well as infinite atomic and biatomic chains. From the dimer calculations we extract the exchange interaction as a function of adatom distance by mapping total energies to a Heisenberg model. The nearest-neighbor (NN) exchange constant is about one order of magnitude smaller than reported for other substrates due to the strong hybridization between the Fe atoms and the partly filled $4d$-band of the surface. We also find a transition from a ferromagnetic NN exchange interaction for Fe dimers on Rh(111) to an antiferromagnetic one on Ru(0001). The distance-dependent exchange coupling displays a RKKY-like oscillatory behavior which is nearly inverted for Fe dimers on the Rh(111) surface compared to those on Ru(0001). Unexpectedly, for Fe clusters beyond dimers, a complex trend of the magnetic ground state is observed which alternates between ferro- and antiferromagnetic configurations depending on cluster size and shape. In view of the exchange constants obtained for dimers, it is surprising that on both surfaces small compact clusters are ferromagnetic while open structures such as linear trimers or tetramers become antiferromagnetic. We demonstrate that both vertical and lateral structural relaxations of the clusters are crucial in order to understand this unexpected trend of magnetic order and connected to the competition of direct ferromagnetic exchange among Fe atoms in the cluster and the hybridization with the substrate.

cond-mat.mes-hall

Strain and composition dependence of the orbital polarization in nickelate superlattices

A combined analysis of x-ray absorption and resonant reflectivity data was used to obtain the orbital polarization profiles of superlattices composed of four-unit-cell-thick layers of metallic LaNiO3 and layers of insulating RXO3 (R=La, Gd, Dy and X=Al, Ga, Sc), grown on substrates that impose either compressive or tensile strain. This superlattice geometry allowed us to partly separate the influence of epitaxial strain from interfacial effects controlled by the chemical composition of the insulating blocking layers. Our quantitative analysis reveal orbital polarizations up to 25%. We further show that strain is the most effective control parameter, whereas the influence of the chemical composition of the blocking layers is comparatively small.

cond-mat.str-el

Thermoelectric Properties of YBa2Cu3O7-(La,Ca)MnO3 Superlattices

We report measurements of the thermoelectric power and electrical resistivity of superlattices composed of the high-temperature superconductor YBa2Cu3O(7-delta) (YBCO) and the metallic ferromagnet La(2/3)Ca(1/3)MnO3 (LCMO) with individual layer thicknesses between 5 and 50 nm. Whereas YBCO and LCMO reference films prepared under the same conditions exhibit negative Seebeck coefficients, in excellent agreement with data on bulk compounds of identical composition, those of all superlattices are positive, regardless of the individual layer thickness. Having ruled out lattice strain and incomplete oxygenation, we attribute the observed sign reversal of the Seebeck coefficient to a long-range electronic reconstruction nucleated at the YBCO-LCMO interfaces.

cond-mat.str-el

Role of tip size, orientation, and structural relaxations in first-principles studies of magnetic exchange force microscopy and spin-polarized scanning tunneling microscopy

Using first-principles calculations based on density functional theory (DFT), we investigate the exchange interaction between a magnetic tip and a magnetic sample which is detected in magnetic exchange force microscopy (MExFM) and also occurs in spin-polarized scanning tunneling microscopy (SP-STM) experiments. As a model tip-sample system, we choose Fe tips and one monolayer Fe on W(001) which exhibits a checkerboard antiferromagnetic structure and has been previously studied with both SP-STM and MExFM. We calculate the exchange forces and energies as a function of tip-sample distance using different tip models ranging from single Fe atoms to Fe pyramids consisting of up to 14 atoms. We find that modelling the tip by a single Fe atom leads to qualitatively different tip-sample interactions than using clusters consisting of several atoms. Increasing the cluster size changes the calculated forces quantitatively enhancing the detectable exchange forces. Rotating the tip with respect to the surface unit cell has only a small influence on the tip-sample forces. Interestingly, the exchange forces on the tip atoms in the nearest and next-nearest layers from the apex atom are non-negligible and can be opposite to that on the apex atom for a small tip. In addition, the apex atom interacts not only with the surface atoms underneath but also with nearest-neighbors in the surface. We find that structural relaxations of tip and sample due to their interaction depend sensitively on the magnetic alignment of the two systems. As a result the onset of significant exchange forces is shifted towards larger tip-sample separations which facilitates their measurement in MExFM. At small tip-sample separations, structural relaxations of tip apex and surface atoms can either enhance or reduce the magnetic contrast measured in SP-STM

cond-mat.mtrl-sci

Intriguing magnetism of Fe monolayers on hexagonal transition-metal surfaces

Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the nearest-neighbor exchange coupling of Fe changes gradually from antiferromagnetic (AFM) for Fe films on Tc, Re, Ru and Os to ferromagnetic on Rh, Ir, Pd, and Pt. In combination with the topological frustration on the triangular lattice of these surfaces the AFM coupling results in a 120-degree Neel structure for Fe on Re and Ru and an unexpected double-row-wise AFM structure on Rh, which is a superposition of a left- and right-rotating 90-degree spin spiral.

cond-mat.mtrl-sci

Correlating radii and electric monopole transitions of atomic nuclei

A systematic analysis of the spherical-to-deformed shape phase transition in even-even rare-earth nuclei from $_{58}$Ce to $_{74}$W is carried out in the framework of the interacting boson model. These results are then used to calculate nuclear radii and electric monopole (E0) transitions with the same effective operator. The influence of the hexadecapole degree of freedom ($g$ boson) on the correlation between radii and E0 transitions thus established, is discussed.

nucl-th

Maximally Localized Wannier Functions within the FLAPW formalism

We report on the implementation of the Wannier Functions (WFs) formalism within the full-potential linearized augmented plane wave method (FLAPW), suitable for bulk, film and one-dimensional geometries. The details of the implementation, as well as results for the metallic SrVO3, ferroelectric BaTiO3 grown on SrTiO3, covalently bonded graphene and a one-dimensional Pt-chain are given. We discuss the effect of spin-orbit coupling on the Wannier Functions for the cases of SrVO3 and platinum. The dependency of the WFs on the choice of the localized trial orbitals as well as the difference between the maximally localized and "first-guess" WFs are discussed. Our results on SrVO3 and BaTiO3, e.g. the ferroelectric polarization of BaTiO3, are compared to results published elsewhere and found to be in excellent agreement.

cond-mat.mtrl-sci

Partial conservation of seniority and nuclear isomerism

We point out the possibility of the {\em partial} conservation of the seniority quantum number when most eigenstates are mixed in seniority but some remain pure. This situation occurs in nuclei for the $g_{9/2}$ and $h_{9/2}$ shells where it is at the origin of the existence of seniority isomers in the ruthenium and palladium isotopes. It also occurs for $f$ bosons.

nucl-th

Magnetic Phase Control in Monolayer Films by Substrate Tuning

We propose to tailor exchange interactions in magnetic monolayer films by tuning the adjacent non-magnetic substrate. As an example, we demonstrate a ferromagnetic-antiferromagnetic phase transition for one monolayer Fe on a Ta(x)W(1-x)(001) surface as a function of the Ta concentration. At the critical Ta concentration, the nearest-neighbor exchange interaction is small and the magnetic phase space is dramatically broadened. Complex magnetic order such as spin-spirals, multiple-Q, or even disordered local moment states can occur, offering the possibility to store information in terms of ferromagnetic dots in an otherwise zero-magnetization state matrix.

cond-mat.mtrl-sci

Interplay of structure and spin-orbit strength in magnetism of metal-benzene sandwiches: from single molecules to infinite wires

Based on first-principles density functional theory calculations we explore electronic and magnetic properties of experimentally producible sandwiches and infinite wires made of repeating benzene molecules and transition-metal atoms of V, Nb, and Ta. We describe the bonding mechanism in the molecules and in particular concentrate on the origin of magnetism in these structures. We find that all the considered systems have sizable magnetic moments and ferromagnetic spin-ordering, with the single exception of the V3-Bz4 molecule. By including the spin-orbit coupling into our calculations we determine the easy and hard axes of the magnetic moment, the strength of the uniaxial magnetic anisotropy energy (MAE), relevant for the thermal stability of magnetic orientation, and the change of the electronic structure with respect to the direction of the magnetic moment, important for spin-transport properties. While for the V-based compounds the values of the MAE are only of the order of 0.05-0.5 meV per metal atom, increasing the spin-orbit strength by substituting V with heavier Nb and Ta allows to achieve an increase in anisotropy values by one to two orders of magnitude. The rigid stability of magnetism in these compounds together with the strong ferromagnetic ordering makes them attractive candidates for spin-polarized transport applications. For a Nb-benzene infinite wire the occurrence of ballistic anisotropic magnetoresistance is demonstrated.

cond-mat.mtrl-sci