Search results for: Hermann Stoll

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article

Direct Imaging of High‐Frequency Multimode Spin Wave Propagation in Cobalt‐Iron Waveguides Using X‐Ray Microscopy beyond 10 GHz

Nick Träger, Paweł Gruszecki, Filip Lisiecki, Johannes Förster, more

physica status solidi (RRL) – Rapid Research Letters > 14 > 12 > n/a - n/a

In article number 2000373, Nick Träger, Joachim Gräfe, and co‐workers report the observation of globally excited multimode spin wave propagation in magnonic CoFe waveguides via time‐resolved X‐ray microscopy, achieving spatial and temporal resolutions of <20 nm and <40 ps, respectively. By using an arbitrary waveform generator, spin waves up to 20.5 GHz are excited and imaged in real space....

article

Direct Imaging of High‐Frequency Multimode Spin Wave Propagation in Cobalt‐Iron Waveguides Using X‐Ray Microscopy beyond 10 GHz

Nick Träger, Paweł Gruszecki, Filip Lisiecki, Johannes Förster, more

physica status solidi (RRL) – Rapid Research Letters > 14 > 12 > n/a - n/a

Not only in fundamental wave physics but also in technical areas such as radar and communication systems, high‐frequency magnonics is increasingly attracting attention. Here, time‐resolved scanning transmission X‐ray microscopy is used to directly image high‐frequency spin wave propagation in cobalt‐iron waveguides at excitation frequencies above 10 GHz. In addition, an excitation technique is presented,...

article

Cover Feature: Understanding the Uniqueness of 2p Elements in Periodic Tables (Chem. Eur. J. 67/2020)

Zhen‐Ling Wang, Han‐Shi Hu, László Szentpály, Hermann Stoll, more

Chemistry – A European Journal > 26 > 67 > 15343 - 15343

The 2p elements exhibit chemistries qualitatively different from their heavier congeners. The physical origin is the quantitative interplay of electronic, kinetic, and potential energies: The 2p orbital has no radial node and therefore little radial kinetic energy, thus 2p is radially rather contracted. All ns orbitals are weakly shielded from nuclear attraction in many‐electronic atoms, thus all...

article

Understanding the Uniqueness of 2p Elements in Periodic Tables

Zhen‐Ling Wang, Han‐Shi Hu, László Szentpály, Hermann Stoll, more

Chemistry – A European Journal > 26 > 67 > 15558 - 15564

The Periodic Table, and the unique chemical behavior of the first element in a column (group), were discovered simultaneously one and a half centuries ago. Half a century ago, this unique chemistry of the light homologs was correlated to the then available atomic orbital (AO) radii. The radially nodeless 1s, 2p, 3d, 4f valence AOs are particularly compact. The similarity of r(2s)≈r(2p) leads to pronounced...

article

Correspondence on “Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon”

László von Szentpály, W. H. Eugen Schwarz, Hermann Stoll, Hans‐Joachim Werner

Angewandte Chemie International Edition > 58 > 31 > 10404 - 10407

The conclusions of a recent Communication of Yoshida, Raebiger, Shudo, and Ohno published in this journal, that varying core orbital topologies with minuscule negative tails upon bond formation determine the different chemistries of carbon and silicon and affect ionization energies, excitation energies and bond properties of molecules, are now shown to be based on computational artifacts and oversimplified...

article

Correspondence on “Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon”

László von Szentpály, W. H. Eugen Schwarz, Hermann Stoll, Hans‐Joachim Werner

Angewandte Chemie > 131 > 31 > 10512 - 10515

article

Magnetic Skyrmions: Current‐Induced Skyrmion Generation through Morphological Thermal Transitions in Chiral Ferromagnetic Heterostructures (Adv. Mater. 49/2018)

Ivan Lemesh, Kai Litzius, Marie Böttcher, Pedram Bassirian, more

Advanced Materials > 30 > 49 > n/a - n/a

Magnetic skyrmions are particle‐like chiral twists of the magnetization that promise advances in spin‐based data storage and logic device applications. In article number 1805461, Mathias Kläui, Geoffrey S. D. Beach, and co‐workers examine current‐induced generation of skyrmions in heavy‐metal/ferromagnet multilayers and show that Joule heat pulses can drive topological transitions in magnetic textures...

article

Current‐Induced Skyrmion Generation through Morphological Thermal Transitions in Chiral Ferromagnetic Heterostructures

Ivan Lemesh, Kai Litzius, Marie Böttcher, Pedram Bassirian, more

Advanced Materials > 30 > 49 > n/a - n/a

Magnetic skyrmions promise breakthroughs in future memory and computing devices due to their inherent stability and small size. Their creation and current driven motion have been recently observed at room temperature, but the key mechanisms of their formation are not yet well‐understood. Here it is shown that in heavy metal/ferromagnet heterostructures, pulsed currents can drive morphological transitions...

article

Magnetic vortex core reversal by rotating magnetic fields generated on micrometer length scales

Michael Curcic, Hermann Stoll, Markus Weigand, Vitalij Sackmann, more

physica status solidi (b) > 248 > 10 > 2317 - 2322

Unidirectional switching of the magnetic vortex core can be achieved in micron‐sized ferromagnetic platelets by excitation of the gyrotropic mode of the vortex structure with in‐plane rotating magnetic fields. Circulating fields with a switchable sense of rotation (clockwise, CW or counter clockwise, CCW) have been generated on a micrometer length scale at frequencies up to 1 GHz by two orthogonal...

article

Extrapolating wavefunction-based ab initio results from finite clusters to the bulk solid – The case of group 1 and 11 metals (Li,Cu)

Hermann Stoll, Klaus Doll

Chemical Physics Letters > 2011 > 501 > 4-6 > 283-286

Wavefunction-based ab initio results for small Li_n and Cu_n clusters (n⩽16), with correlation effects treated at the coupled-cluster level, are used to calibrate Hartree–Fock/density-functional mixing parameters for atomization energies. It is shown that transferring these parameters to the infinite solid leads to reliable results for lattice constants, bulk moduli, and cohesive energies of Li and...

article

Energy-Consistent Pseudopotentials for the 5d Elements—Benchmark Calculations for Oxides, Nitrides, and Pt ₂ ^†

Benjamin Spohn, Erich Goll, Hermann Stoll, Detlev Figgen, more

The Journal of Physical Chemistry A > 2009 > 113 > 45 > 12478 - 12484

article

Accurate Potential Energy Surface and Calculated Spectroscopic Properties for CdH ₂ Isotopomers ^†

Peter Sebald, Rainer Oswald, Peter Botschwina, Hermann Stoll, more

The Journal of Physical Chemistry A > 2009 > 113 > 43 > 11772 - 11782

article

A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water

Ricardo A. Mata, Hermann Stoll, B. J. Costa Cabral

Journal of Chemical Theory and Computation > 2009 > 5 > 7 > 1829 - 1837

article

Adsorption of Benzene to Copper in CuHY Zeolite

Tanja Archipov, Shampa Santra, Augusta B. Ene, Hermann Stoll, more

The Journal of Physical Chemistry C > 2009 > 113 > 10 > 4107 - 4116

article

An incremental coupled-cluster approach to metallic lithium

Hermann Stoll, Beate Paulus, Peter Fulde

Chemical Physics Letters > 2009 > 469 > 1-3 > 90-93

Coupled-cluster pair energies calculated for localized orbitals in finite lithium clusters are used for an estimate of the cohesive energy and the lattice constant of the bcc lithium crystal. It is shown that the results converge reasonably fast with cluster size and are of comparable quality with conventional density functional ones for the infinite solid.

article

Short-range density functionals in combination with local long-range ab initio methods: Application to non-bonded complexes

Erich Goll, Hans-Joachim Werner, Hermann Stoll

Chemical Physics > 2008 > 346 > 1-3 > 257-265

Within this work, we introduce local-correlation approximations into a hybrid approach which couples short-range density functional-based with long-range wave-function-based methods. The local treatment of long-range ab initio correlation is expected to greatly enhance the efficiency of the mixed approach for large systems. We start from our previous implementation, where a short-range gradient-corrected...

article

On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO, and Their Anions

Kirk A. Peterson, Benjamin C. Shepler, Detlev Figgen, Hermann Stoll

The Journal of Physical Chemistry A > 2006 > 110 > 51 > 13877 - 13883

article

A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers

Erich Goll, Hans-Joachim Werner, Hermann Stoll, Thierry Leininger, more

Chemical Physics > 2006 > 329 > 1-3 > 276-282

We extend our recently published short-range gradient-corrected density functional from the closed-shell to the open-shell case, combine it with long-range coupled-cluster methods (CCSD, CCSD(T)), and apply it to the weakly bound alkali-metal rare-gas dimers AmRg (Am=Li–Cs; Rg=Ne–Xe). The results are shown to be superior, with medium-size basis sets, to pure DFT and pure coupled-cluster calculations.

article

Large-core vs. small-core pseudopotentials: A case study for Au2

Hermann Stoll

Chemical Physics Letters > 2006 > 429 > 1-3 > 289-293

Large-core pseudopotentials as well as model potentials may fail to properly describe bonding properties of molecules for two main reasons: (a) cores cannot be considered as frozen, and (b) core overlap cannot be neglected. This is illustrated for the case of the Au ₂ molecule, and it is shown how the errors can be substantially reduced by efficiently combining information from large-core...

article

Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data

Detlev Figgen, Guntram Rauhut, Michael Dolg, Hermann Stoll

Chemical Physics > 2005 > 311 > 1-2 > 227-244

Two-component relativistic pseudopotentials (i.e., scalar-relativistic and spin–orbit (SO) potentials) of the energy-consistent variety have been adjusted for the group 11 and 12 atoms Cu, Zn; Ag, Cd; Au, Hg, replacing the 1s–2p; 1s–3d; and 1s–4f cores, respectively. The adjustment has been done for the valence-energy spectrum of (near-)neutral atoms, to reference data from numerical all-electron...

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Search results for: Hermann Stoll

Direct Imaging of High‐Frequency Multimode Spin Wave Propagation in Cobalt‐Iron Waveguides Using X‐Ray Microscopy beyond 10 GHz

Direct Imaging of High‐Frequency Multimode Spin Wave Propagation in Cobalt‐Iron Waveguides Using X‐Ray Microscopy beyond 10 GHz

Cover Feature: Understanding the Uniqueness of 2p Elements in Periodic Tables (Chem. Eur. J. 67/2020)

Understanding the Uniqueness of 2p Elements in Periodic Tables

Correspondence on “Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon”

Correspondence on “Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon”

Magnetic Skyrmions: Current‐Induced Skyrmion Generation through Morphological Thermal Transitions in Chiral Ferromagnetic Heterostructures (Adv. Mater. 49/2018)

Current‐Induced Skyrmion Generation through Morphological Thermal Transitions in Chiral Ferromagnetic Heterostructures

Magnetic vortex core reversal by rotating magnetic fields generated on micrometer length scales

Extrapolating wavefunction-based ab initio results from finite clusters to the bulk solid – The case of group 1 and 11 metals (Li,Cu)

Energy-Consistent Pseudopotentials for the 5d Elements—Benchmark Calculations for Oxides, Nitrides, and Pt ₂ ^†

Accurate Potential Energy Surface and Calculated Spectroscopic Properties for CdH ₂ Isotopomers ^†

A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water

Adsorption of Benzene to Copper in CuHY Zeolite

An incremental coupled-cluster approach to metallic lithium

Short-range density functionals in combination with local long-range ab initio methods: Application to non-bonded complexes

On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO, and Their Anions

A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers

Large-core vs. small-core pseudopotentials: A case study for Au2

Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data

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