arXiv subjects

A. Ernst

Publications and source records attributed to A. Ernst.

72 records · Page 4Linked to original sources

arXiv2015

Study of the Negative Magneto-Resistance of Single Proton-Implanted Lithium-Doped ZnO Microwires

The magneto-transport properties of single proton-implanted ZnO and of Li(7\%)-doped ZnO microwires have been studied. The as-grown microwires were highly insulating and not magnetic. After proton implantation the Li(7\%) doped ZnO microwires showed a non monotonous behavior of the negative magneto-resistance (MR) at temperature above 150 K. This is in contrast to the monotonous NMR observed below 50 K for proton-implanted ZnO. The observed difference in the transport properties of the wires is related to the amount of stable Zn vacancies created at the near surface region by the proton implantation and Li doping. The magnetic field dependence of the resistance might be explained by the formation of a magnetic/non magnetic heterostructure in the wire after proton implantation.

cond-mat.mtrl-sci↗

arXiv2014

Ab-initio theory of Iron based superconductors

We report the first-principles study of superconducting critical temperature and superconducting properties of Fe-based superconductors taking into account on the same footing phonon, charge and spin-fluctuation mediated Cooper pairing. We show that in FeSe this leads to a modulated s$\pm$ gap symmetry, and that the antiferromagnetic paramagnons are the leading mechanism for superconductivity in FeSe, overcoming the strong repulsive effect of both phonons and charge pairing.

cond-mat.supr-con↗

arXiv2013

Effects of non-uniform Mn distribution in (Ga,Mn)As

Resonant in situ photoemission from Mn 3d states in Ga_{1-x}Mn_{x}As is reported for Mn concentrations down to very dilute limit of 0.1 at %. The properties of the peak at the valence-band maximum reveal an effective interaction between Mn 3d states for concentration as low as 2.5 %. Concentration-dependent spectral features are analyzed on the basis of first-principles calculations for systems with selected impurity positions as well as for random alloys.

cond-mat.str-el↗

arXiv2013

Simulations of the Hyades

Context: Using the recent observational data of Röser et al. we present $N$-body simulations of the Hyades open cluster. Aims: We make an attempt to determine initial conditions of the Hyades cluster at the time of its formation in order to reproduce the present-day cumulative mass profile, stellar mass and luminosity function (LF). Methods: We performed direct $N$-body simulations of the Hyades in an analytic Milky Way potential that account for stellar evolution and include primordial binaries in a few models. Furthermore, we applied a Kroupa (2001) IMF and used extensive ensemble-averaging. Results: We find that evolved single-star King initial models with King parameters $W_0 = 6-9$ and initial particle numbers $N_0 = 3000$ provide good fits to the observational present-day cumulative mass profile within the Jacobi radius. The best-fit King model has an initial mass of $1721\ M_\odot$ and an average mass loss rate of $-2.2 \ M_\odot/\mathrm{Myr}$. The K-band LFs of models and observations show a reasonable agreement. Mass segregation is detected in both observations and models. If 33% primordial binaries are included the initial particle number is reduced by 5% as compared to the model without primordial binaries. Conclusions: The present-day properties of the Hyades can be well reproduced by a standard King or Plummer initial model when choosing appropriate initial conditions. The degeneracy of good-fitting models can be quite high due to the large dimension of the parameter space. More simulations with different Roche-lobe filling factors and primordial binary fractions are required to explore this degeneracy in more detail.

astro-ph.GA↗

arXiv2013

Exchange interaction and its tuning in magnetic binary chalcogenides

Using a first-principles Green's function approach we study magnetic properties of the magnetic binary chalcogenides Bi2Te3, Bi2Se3, and Sb2Te3. The magnetic coupling between transition-metal impurities is long-range, extends beyond a quintuple layer, and decreases with increasing number of d electrons per 3d atom. We find two main mechanisms for the magnetic interaction in these materials: the indirect exchange interaction mediated by free carriers and the indirect interaction between magnetic moments via chalcogen atoms. The calculated Curie temperatures of these systems are in good agreement with available experimental data. Our results provide deep insight into magnetic interactions in magnetic binary chalcogenides and open a way to design new materials for promising applications.

cond-mat.mtrl-sci↗

arXiv2013

Defect-Induced Magnetism in Solids

In the last years the number of nominally non-magnetic solids showing magnetic order induced by some kind of defects has increased continuously. From the single element material graphite to several covalently bonded non-magnetic compounds, the influence of defects like vacancies and/or non-magnetic ad-atoms on triggering magnetic order has attracted the interest of experimentalists and theoreticians. We review and discuss the main theoretical approach as well as recently obtained experimental evidence based on different experimental methods that supports the existence of defect-induced magnetism (DIM) in non-magnetic as well as in magnetic materials.

cond-mat.mtrl-sci↗

arXiv2012

Roche volume filling of star clusters in the Milky Way

We examine the ratios $r_h/r_J$ of projected half-mass and Jacobi radius as well as $r_t/r_J$ of tidal and Jacobi radius for open and globular clusters in the Milky Way using data of both observations and simulations. We applied an improved calculation of $r_J$ for eccentric orbits of globular clusters. A sample of 236 open clusters of Piskunov et al. within the nearest kiloparsec around the Sun has been used. For the Milky Way globular clusters, data are taken from the Harris catalogue. We particularly use the subsample of 38 Milky Way globular clusters for which orbits have been integrated by Dinescu et al. We aim to quantify the differences between open and globular clusters and to understand, why they form two intrinsically distinct populations. We find under certain assumptions, or, in other words, in certain approximations, (i) that globular clusters are presently Roche volume underfilling and (ii) with at least $3σ$ confidence that the ratio $r_h/r_J$ of half-mass and Jacobi radius is $3 - 5$ times larger at present for an average open cluster in our sample than for an average globular cluster in our sample and (iii) that a significant fraction of globular clusters may be Roche volume overfilling at pericentre with $r_t > r_J$. Another aim of this paper is to throw light on the underlying theoretical reason for the existence of the van den Bergh correlation between half-mass and galactocentric radius.

astro-ph.GA↗

arXiv2010

Dynamical friction of massive objects in galactic centres

Dynamical friction leads to an orbital decay of massive objects like young compact star clusters or Massive Black Holes in central regions of galaxies. The dynamical friction force can be well approximated by Chandrasekhar's standard formula, but recent investigations show, that corrections to the Coulomb logarithm are necessary. With a large set of N-body simulations we show that the improved formula for the Coulomb logarithm fits the orbital decay very well for circular and eccentric orbits. The local scale-length of the background density distribution serves as the maximum impact parameter for a wide range of power-law indices of -1 ... -5. For each type of code the numerical resolution must be compared to the effective minimum impact parameter in order to determine the Coulomb logarithm. We also quantify the correction factors by using self-consistent velocity distribution functions instead of the standard Maxwellian often used. These factors enter directly the decay timescale and cover a range of 0.5 ... 3 for typical orbits. The new Coulomb logarithm combined with self-consistent velocity distribution functions in the Chandrasekhar formula provides a significant improvement of orbital decay times with correction up to one order of magnitude compared to the standard case. We suggest the general use of the improved formula in parameter studies as well as in special applications.

astro-ph.CO↗

arXiv2010

Calibration of radii and masses of open clusters with a simulation

Context: A recent new approach to apply a simple dynamical mass estimate of tidally limited star clusters is based on the identification of the tidal radius in a King profile with the dynamical Jacobi radius. The application to an unbiased open cluster catalogue yields significantly higher cluster masses compared to the classical methods. Aims: We quantify the bias in the mass determination as function of projection direction and cluster age by analysing a simulated star cluster. Methods: We use direct $N$-body simulations of a star cluster including stellar evolution in an analytic Milky Way potential and apply a best fit to the projected number density of cluster stars. Results: We obtain significantly overestimated star cluster masses which depend strongly on the viewing direction. The overestimation is typically in the range of 10-50 percent and reaches a factor of 3.5 for young clusters. Mass segregation reduces the derived limiting radii systematically.

astro-ph.GA↗

arXiv2010

Tuning independently Fermi energy and spin splitting in Rashba systems: Ternary surface alloys on Ag(111)

By detailed first-principles calculations we show that the Fermi energy and the Rashba splitting in disordered ternary surface alloys (BiPbSb)/Ag(111) can be independently tuned by choosing the concentrations of Bi and Pb. The findings are explained by three fundamental mechanisms, namely the relaxation of the adatoms, the strength of the atomic spin-orbit coupling, and band filling. By mapping the Rashba characteristics,i.e.the splitting and the Rashba energy, and the Fermi energy of the surface states in the complete range of concentrations. Our results suggest to investigate experimentally effects which rely on the Rashba spin-orbit coupling in dependence on spin-orbit splitting and band filling.

cond-mat.mtrl-sci↗

arXiv2009

Silicon surface with giant spin-splitting

We demonstrate the induction of a giant Rashba-type spin-splitting on a semiconducting substrate by means of a Bi trimer adlayer on a Si(111) wafer. The in-plane inversion symmetry is broken so that the in-plane potential gradient induces a giant spin-splitting with a Rashba energy of about 140 meV, which is more than an order of magnitude larger than what has previously been reported for any semiconductor heterostructure. The separation of the electronic states is larger than their lifetime broadening, which has been directly observed with angular resolved photoemission spectroscopy. The experimental results are confirmed by relativistic first-principles calculations. We envision important implications for basic phenomena as well as for the semiconductor based technology.

cond-mat.mtrl-sci↗

arXiv2009

Structural phase transitions and fundamental band gaps of Mg(x)Zn(1-x)O alloys from first principles

The structural phase transitions and the fundamental band gaps of Mg(x)Zn(1-x)O alloys are investigated by detailed first-principles calculations in the entire range of Mg concentrations x, applying a multiple-scattering theoretical approach (Korringa-Kohn-Rostoker method). Disordered alloys are treated within the coherent potential approximation (CPA). The calculations for various crystal phases have given rise to a phase diagram in good agreement with experiments and other theoretical approaches. The phase transition from the wurtzite to the rock-salt structure is predicted at the Mg concentration of x = 0.33, which is close to the experimental value of 0.33 - 0.40. The size of the fundamental band gap, typically underestimated by the local density approximation, is considerably improved by the self-interaction correction. The increase of the gap upon alloying ZnO with Mg corroborates experimental trends. Our findings are relevant for applications in optical, electrical, and in particular in magnetoelectric devices.

cond-mat.mtrl-sci↗

arXiv2009

Magnetic Anisotropy and Magnetization Dynamics of Individual Atoms and Clusters of Fe and Co on Pt(111)

The recently discovered giant magnetic anisotropy of single magnetic Co atoms raises the hope of magnetic storage in small clusters. We present a joint experimental and theoretical study of the magnetic anisotropy and the spin dynamics of Fe and Co atoms, dimers, and trimers on Pt(111). Giant anisotropies of individual atoms and clusters as well as lifetimes of the excited states were determined with inelastic scanning tunneling spectroscopy. The short lifetimes due to hybridization-induced electron-electron scattering oppose the magnetic stability provided by the magnetic anisotropies.

cond-mat.mtrl-sci↗

arXiv2008

Quantitative analysis of clumps in the tidal tails of star clusters

Tidal tails of star clusters are not homogeneous but show well defined clumps in observations as well as in numerical simulations. Recently an epicyclic theory for the formation of these clumps was presented. A quantitative analysis was still missing. We present a quantitative derivation of the angular momentum and energy distribution of escaping stars from a star cluster in the tidal field of the Milky Way and derive the connection to the position and width of the clumps. For the numerical realization we use star-by-star $N$-body simulations. We find a very good agreement of theory and models. We show that the radial offset of the tidal arms scales with the tidal radius, which is a function of cluster mass and the rotation curve at the cluster orbit. The mean radial offset is 2.77 times the tidal radius in the outer disc. Near the Galactic centre the circumstances are more complicated, but to lowest order the theory still applies. We have also measured the Jacobi energy distribution of bound stars and showed that there is a large fraction of stars (about 35%) above the critical Jacobi energy at all times, which can potentially leave the cluster. This is a hint that the mass loss is dominated by a self-regulating process of increasing Jacobi energy due to the weakening of the potential well of the star cluster, which is induced by the mass loss itself.

astro-ph↗

arXiv2008

Onset of Magnetic Order in Strongly-Correlated Systems from ab initio Electronic Structure Calculations: Application to Transition Metal Oxides

We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected local spin density approximation (SIC-LSDA). The self-interaction correction is implemented locally, within the KKR multiple-scattering method. Thermally induced magnetic fluctuations are treated using a mean-field `disordered local moment' (DLM) approach and at no stage is there a fitting to an effective Heisenberg model. We apply the theory to the 3d transition metal oxides, where our calculations reproduce the experimental ordering tendencies, as well as the qualitative trend in ordering temperatures. We find a large insulating gap in the paramagnetic state which hardly changes with the onset of magnetic order.

cond-mat.str-el↗

arXiv2005

Anisotropic gaseous models of tidally limited star clusters -- comparison with other methods

We present new models of the evolution and dissolution of star clusters evolving under the combined influence of internal relaxation and external tidal fields, using the anisotropic gaseous model based on the Fokker-Planck approximation, and a new escaper loss cone model. This model borrows ideas from loss cones of stellar distributions near massive black holes, and describes physical processes related to escaping stars by a simple model based on two timescales and a diffusion process. We compare our results with those of direct $N$-body models and of direct numerical solutions of the orbit-averaged Fokker-Planck equation. For this comparative study we limit ourselves to idealized single point mass star clusters, in order to present a detailed study of the physical processes determining the rate of mass loss, core collapse and other features of the system's evolution. With the positive results of our study the path is now open in the future to use the computationally efficient gaseous models for future studies with more realism (mass spectrum, stellar evolution).

astro-ph↗

arXiv2005

Self-interaction correction in multiple scattering theory

We propose a simplified version of self-interaction corrected local spin-density (SIC-LSD) approximation, based on multiple scattering theory, which implements self-interaction correction locally, within the KKR method. The multiple scattering aspect of this new SIC-LSD method allows for the description of crystal potentials which vary from site to site in a random fashion and the calculation of physical quantities averaged over ensembles of such potentials using the coherent potential approximation (CPA). This facilitates applications of the SIC to alloys and pseudoalloys which could describe disordered local moment systems, as well as intermediate valences. As a demonstration of the method, we study the well-known $α$-$γ$ phase transition in Ce, where we also explain how SIC operates in terms of multiple scattering theory.

cond-mat.str-el↗

arXiv2003

Spin polarization of the L-gap surface states on Au(111)

The electron spin polarization (ESP) of the L-gap surface states on Au(111) is investigated theoretically by means of first-principles electronic-structure and photoemission calculations. The surface states show a large spin-orbit induced in-plane ESP which is perpendicular to the in-plane wavevector, in close analogy to a two-dimensional electron gas with Rashba spin-orbit interaction. The surface corrugation leads to a small ESP component normal to the surface, being not reported so far. The surface-states ESP can be probed qualitatively and quantitatively by spin- and angle-resolved photoelectron spectroscopy, provided that the initial-state ESP is retained in the photoemission process and not obscured by spin-orbit induced polarization effects. Relativistic photoemission calculations provide detailed information on what photoemission set-ups allow to conclude from the photoelectron ESP on that of the surface states.

cond-mat↗