arXiv subjects

P. M. Oppeneer

Publications and source records attributed to P. M. Oppeneer.

36 records · Page 2Linked to original sources

arXiv2013

X-ray magnetic circular dichroism experiments and theory of transuranium Laves phase compounds

The actinide cubic Laves compounds NpAl2, NpOs2, NpFe2, and PuFe2 have been examined by X-ray magnetic circular dichroism (XMCD) at the actinide M4,5 absorption edges and Os L2,3 absorption edges. The XMCD experiments performed at the M4,5 absorption edges of Np and Pu allow us to determine the spectroscopic branching ratio, which gives information on the coupling scheme in these materials. In all materials the intermediate coupling scheme is found appropriate. Comparison with the SQUID data for NpOs2 and PuFe2 allows a determination of the individual orbital and spin magnetic moments and the magnetic dipole contribution mmd. The resulting orbital and spin magnetic moments are in good agreement with earlier values determined by neutron diffraction, and the values of mmd are non-negligible, and close to those predicted for intermediate coupling. There is a comparatively large induced moment on the Os atom in NpOs2 such that the Os contribution to the total moment per formula unit is ~30% of the total. The spin and orbital moments at the Os site are parallel, in contrast to the anti-parallel configuration of Os impurities in 3d ferromagnetic transition metals. Calculations using the LDA+U technique are reported. The ab initio computed XMCD spectra show good agreement with experimental spectra for small values (0-1eV) of the Hubbard U parameter, which underpins that 5f electrons in these compounds are relatively delocalized.

cond-mat.str-el↗

arXiv2013

Unified character of correlation effects in unconventional Pu-based superconductors and δ-Pu

Electronic structure calculations combining the local-density approximation with an exact diagonalization of the Anderson impurity model show an intermediate 5f^5-5f^6-valence ground state and delocalization of the 5f^5 multiplet of the Pu atom 5f-shell in PuCoIn_5, PuCoGa_5, and δ-Pu. The 5f-local magnetic moment is compensated by a moment formed in the surrounding cloud of conduction electrons. For PuCoGa_5 and δ-Pu the compensation is complete and the Anderson impurity ground state is a singlet. For PuCoIn_5 the compensation is partial and the Pu ground state is magnetic. We suggest that the unconventional d-wave superconductivity is likely mediated by the 5f-states antiferromagnetic fluctuations in PuCoIn_5, and by valence fluctuations in PuCoGa_5.

cond-mat.str-el↗

arXiv2012

Engineering ultrafast spin currents and terahertz transients by magnetic heterostructures

In spin-based electronics, information is encoded by the spin state of electron bunches. Processing this information requires the controlled transport of spin angular momentum through a solid, preferably at frequencies reaching the so far unexplored terahertz (THz) regime. Here, we demonstrate, by experiment and theory, that the temporal shape of femtosecond spin-current bursts can be manipulated by using specifically designed magnetic heterostructures. A laser pulse is employed to drive spins from a ferromagnetic Fe thin film into a nonmagnetic cap layer that has either low (Ru) or high (Au) electron mobility. The resulting transient spin current is detected by means of an ultrafast, contactless amperemeter based on the inverse spin Hall effect that converts the spin flow into a THz electromagnetic pulse. We find that the Ru cap layer yields a considerably longer spin-current pulse because electrons are injected in Ru d states that have a much smaller mobility than Au sp states. Thus, spin current pulses and the resulting THz transients can be shaped by tailoring magnetic heterostructures, which opens the door for engineering high-speed spintronic devices as well as broadband THz emitters in particular covering the elusive range from 5 to 10THz.

cond-mat.mes-hall↗

arXiv2011

Colloquium: Hidden Order, Superconductivity, and Magnetism -- The Unsolved Case of URu2Si2

This Colloquium reviews the 25 year quest for understanding the continuous (second-order) mean-field-like phase transition occurring at 17.5 K in URu2Si2. About ten years ago, the term hidden order (HO) was coined and has since been utilized to describe the unknown ordered state, whose origin cannot be disclosed by conventional solid-state probes, such as x rays, neutrons, or muons. HO is able to support superconductivity at lower temperatures (Tc ~ 1.5 K), and when magnetism is developed with increasing pressure both the HO and the superconductivity are destroyed. Other ways of probing the HO are via Rh-doping and very large magnetic fields. During the last few years a variety of advanced techniques have been tested to probe the HO state and their attempts will be summarized. A digest of recent theoretical developments is also included. It is the objective of this Colloquium to shed additional light on the HO state and its associated phases in other materials.

cond-mat.str-el↗

arXiv2011

Ab initio investigation of Elliott-Yafet electron-phonon mechanism in laser-induced ultrafast demagnetization

The spin-flip (SF) Eliashberg function is calculated from first-principles for ferromagnetic Ni to accurately establish the contribution of Elliott-Yafet electron-phonon SF scattering to Ni's femtosecond laser-driven demagnetization. This is used to compute the SF probability and demagnetization rate for laser-created thermalized as well as non-equilibrium electron distributions. Increased SF probabilities are found for thermalized electrons, but the induced demagnetization rate is extremely small. A larger demagnetization rate is obtained for {non-equilibrium} electron distributions, but its contribution is too small to account for femtosecond demagnetization.

cond-mat.mes-hall↗

arXiv2011

Fast multi-orbital equation of motion impurity solver for dynamical mean field theory

We propose a fast multi-orbital impurity solver for the dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOM) for local Green's functions and constructed by generalizing from the single-orbital case to the multi-orbital case with inclusion of the inter-orbital hybridizations and applying a mean field approximation to the inter-orbital Coulomb interactions. The two-orbital Hubbard model is studied using this impurity solver within a large range of parameters. The Mott metal-insulator transition and the quasiparticle peak are well described. A comparison of the EOM method with the QMC method is made for the two-orbital Hubbard model and a good agreement is obtained. The developed method hence holds promise as a fast DMFT impurity solver in studies of strongly correlated systems.

cond-mat.str-el↗

arXiv2011

Advanced multi-orbital impurity solver for dynamical mean field theory based on the equation of motion approach

We propose an improved fast multi-orbital impurity solver for the dynamical mean field theory (DMFT) based on equations of motion (EOM) of Green's functions and decoupling scheme. In this scheme the inter-orbital Coulomb interactions are treated fully self-consistently, involving the inter-orbital fluctuations. As an example of the derived multi-orbital impurity solver, the two-orbital Hubbard model is studied for various cases. Comparisons are made between numerical results obtained with our EOM scheme and those obtained with quantum Monte Carlo and numerical renormalization group methods. The comparison substantiates a good agreement, but also reveals a dissimilar behavior in the densities of states (DOS) which is caused by inter-site inter-orbital hopping effects and on-site inter-orbital fluctuation effects, thus corroborating the value of the EOM method for the study of multi-orbital strongly correlated systems.

cond-mat.str-el↗

arXiv2011

Small-q Phonon Mediated Unconventional Superconductivity in the Iron Pnictides

We report self-consistent calculations of the gap symmetry for the iron-based high-temperature superconductors using realistic small-q phonon mediated pairing potentials and four-band energy dispersions. When both electron and hole Fermi surface pockets are present, we obtain the nodeless $s_\pm$ state that was first encountered in a spin-fluctuations mechanism picture. Nodal gap structures such as $d_{x^2-y^2}$ and $s_\pm+d_{x^2-y^2}$ and even a p-wave triplet state, are accessible upon doping within our phononic mechanism. Our results resolve the conflict between phase sensitive experiments reporting a gap changing sign attributed previously only to a non-phononic mechanism and isotope effect measurements proving the involvement of phonons in the pairing.

cond-mat.supr-con↗

arXiv2010

Electronic structure theory of the hidden order material URu$_2$Si$_2$

We report a comprehensive electronic structure investigation of the paramagnetic (PM), the large moment antiferromagnetic (LMAF), and the hidden order (HO) phases of URu$_2$Si$_2$. We have performed relativistic full-potential calculations on the basis of the density functional theory (DFT), employing different exchange-correlation functionals to treat electron correlations within the open $5f$-shell of uranium. Specifically, we investigate---through a comparison between calculated and low-temperature experimental properties---whether the $5f$ electrons are localized or delocalized in URu$_2$Si$_2$. We also performed dynamical mean field theory calculations (LDA+DMFT) to investigate the temperature evolution of the quasi-particle states at 100~K and above, unveiling a progressive opening of a quasi-particle gap at the chemical potential when temperature is reduced. A detailed comparison of calculated properties with known experimental data demonstrates that the LSDA and GGA approaches, in which the uranium $5f$ electrons are treated as itinerant, provide an excellent explanation of the available low-temperature experimental data of the PM and LMAF phases. We show furthermore that due to a materials-specific Fermi surface instability a large, but partial, Fermi surface gapping of up to 750 K occurs upon antiferromagnetic symmetry breaking. The occurrence of the HO phase is explained through dynamical symmetry breaking induced by a mode of long-lived antiferromagnetic spin-fluctuations. This dynamical symmetry breaking model explains why the Fermi surface gapping in the HO phase is similar but smaller than that in the LMAF phase and it also explains why the HO and LMAF phases have the same Fermi surfaces yet different order parameters. Suitable derived order parameters for the HO are proposed to be the Fermi surface gap or the dynamic spin-spin correlation function.

cond-mat.str-el↗

arXiv2009

Quadratic X-ray magneto-optical effect in reflection at the M-edges of 3d transition metals

We have observed a quadratic x-ray magneto-optical effect in near-normal incidence reflection at the M-edges of iron. The effect appears as the magnetically induced rotation of ca. 0.1$ degrees of the polarization plane of linearly polarized x-ray radiation upon reflection. A comparison of the measured rotation spectrum with results from x-ray magnetic linear dichroism data demonstrates that this is the first observation of the Schaefer-Hubert effect in the x-ray regime. Ab initio density-functional theory calculations reveal that hybridization effects of the 3p core states necessarely need to be considered when interpreting experimental data. The discovered magneto-x-ray effect holds promise for future ultrafast and element-selective studies of ferromagnetic as well as antiferromagnetic materials.

cond-mat.mtrl-sci↗

arXiv2009

Dynamical mean field theory of correlated gap formation in Pu monochalcogenides

The correlated Kondo insulator state of the plutonium monochalcogenides is investigated using the dynamical mean field theory (DMFT) and the local density approximation +U (LDA+U). The DMFT-dynamical fluctuations lead to a correlated insulator state at elevated temperature, in sharp contrast to the static LDA+U approach that fails to reproduce both the insulating behavior and anomalous lattice constant. The DMFT conversely predicts the experimentally observed anomalous increase of the gap with pressure and explains the lattice constant very well.

cond-mat.str-el↗

arXiv2009

Influence of laser-excited electron distributions on the x-ray magnetic circular dichroism spectra: Implications for femtosecond demagnetization in Ni

In pump-probe experiments an intensive laser pulse creates non-equilibrium excited electron distributions in the first few hundred femtoseconds after the pulse. The influence of non-equilibrium electron distributions caused by a pump laser on the apparent X-ray magnetic circular dichroism (XMCD) signal of Ni is investigated theoretically here for the first time, considering electron distributions immediately after the pulse as well as thermalized ones, that are not in equilibrium with the lattice or spin systems. The XMCD signal is shown not to be simply proportional to the spin momentum in these situations. The computed spectra are compared to recent pump-probe XMCD experiments on Ni. We find that the majority of experimentally observed features considered to be a proof of ultrafast spin momentum transfer to the lattice can alternatively be attributed to non-equilibrium electron distributions. Furthermore, we find the XMCD sum rules for the atomic spin and orbital magnetic moment to remain valid, even for the laser induced non-equilibrium electron distributions.

cond-mat.mtrl-sci↗

arXiv2008

Uncovering the hidden order in URu2Si2: Identification of Fermi surface instability and gapping

Spontaneous, collective ordering of electronic degrees of freedom leads to second-order phase transitions that are characterized by an order parameter. The notion "hidden order" (HO) has recently been used for a variety of materials where a clear phase transition occurs to a phase without a known order parameter. The prototype example is the heavy-fermion compound URu2Si2 where a mysterious HO transition occurs at 17.5K. For more than twenty years this system has been studied theoretically and experimentally without a firm grasp of the underlying physics. Using state-of-the-art density-functional theory calculations, we provide here a microscopic explanation for the HO. We identify the Fermi surface "hot spots" where degeneracy induces a Fermi surface instability and quantify how symmetry breaking lifts the degeneracy, causing a surprisingly large Fermi surface gapping. As mechanism for the HO we propose spontaneous symmetry breaking through collective antiferromagnetic moment excitations.

cond-mat.str-el↗

arXiv2002

Observation of minority spin character of the new electron doped manganite La_0.7Ce_0.3MnO_3 from tunneling magnetoresistance

We report the magnetotransport characteristics of a trilayer ferromagnetic tunnel junction build of an electron doped manganite (La_0.7Ce_0.3MnO_3) and a hole doped manganite (La_0.7Ca_0.3MnO_3). At low temperatures the junction exhibits a large positive tunneling magnetoresistance (TMR), irrespective of the bias voltage. At intermediate temperatures below T_C the sign of the TMR is dependent on the bias voltage across the junction. The magnetoresistive characteristics of the junction strongly suggest that La_0.7Ce_0.3MnO_3 is a minority spin carrier ferromagnet with a high degree of spin polarization, i.e. a transport half metal.

cond-mat.str-el↗

arXiv2002

Efficient Selfconsistent Calculations of Multiband Superconductivity in UPd$_2$Al$_3$

An efficient physically motivated computational approach to multiband superconductivity is introduced and applied to the study of the gap symmetry in a heavy-fermion, UPd$_2$Al$_3$. Using realistic pairing potentials and accurate energy bands that are computed within density functional theory, self-consistent calculations demonstrate that the only accessible superconducting gap with nodes exhibits d-wave symmetry in the $A_{1g}$ representation of the $D_{6h}$ point group. Our results suggest that in a superconductor with gap nodes the prevailing gap symmetry is dictated by the constraint that nodes must be as far as possible from high-density areas.

cond-mat.supr-con↗

arXiv2002

Theoretical de Haas-van Alphen Data and Plasma Frequencies of MgB2 and TaB2

The de Haas-van Alphen-frequencies as well as the effective masses for a magnetic field parallel to the crystallographic c-axis are calculated within the local spin density approximation (LSDA) for MgB2 and TaB2. In addition, we analyze the plasma frequencies computed for each Fermi surface sheet. We find a large anisotropy of Fermi velocities in MgB2 in difference to the nearly isotropic behavior in TaB2. We compare calculations performed within the relativistic non-full potential augmented-spherical-wave (ASW) scheme and the scalar-relativistic full potential local orbital (FPLO) scheme. A significant dependence for small cross sections on the bandstructure method is found. The comparison with the first available experimental de Haas-van Alphen-data by Yelland et al. (Ref. 19) shows deviations from the electronic structure calculated within both L(S)DA approaches although the cross section predicted by FPLO are closer to the experimental data. The elucidation of the relevant many-body effects beyond the standard LDA is considered as a possible key problem to understand the superconductivity in MgB2.

cond-mat.supr-con↗

arXiv2001

Unconventional Superconductivity in UPd_2Al_3 from Realistic Selfconsistent Calculations

Realistic selfconsistent calculations of unconventional superconductivity in a heavy-fermion material are reported. Our calculations for UPd$_2$Al$_3$ start from accurate energy band dispersions that are computed within the local spin-density functional theory and provide Fermi surfaces in agreement with experiment. Using physically motivated, realistic pairing potentials it is shown that the superconducting gap has two lines of nodes around the z-axis, thus exhibiting d-wave symmetry in the $A_{1g}$ representation of the $D_{6h}$ point group. Our results suggest that in a superconductor with gap nodes, the prevailing gap symmetry is dictated by the constraint that nodes must be as far as possible from high-density areas.

cond-mat.supr-con↗

arXiv2001

Strong-coupling superconductivity due to soft boson modes in MgB_2, cuprates, borocarbides and some heavy fermions

We report micro-Raman measurements that reveal a low-energy soft mode at 16-19 meV in MgB_2 which becomes sharper in the superconducting state. With a boson spectrum based on this mode we reproduce, within Eliashberg theory, the T_c, the T-shape of the NMR relaxation rate as well as unusual dip-hump features in available tunneling data. We compare MgB_2 to cuprates, borocarbides and UPd_2Al_3, where we identify soft bosonic modes at energies which scale with their T_c suggesting that all these materials are very strong coupling superconductors to soft bosonic modes, that are possibly precursors of quantum instabilities.

cond-mat.supr-con↗