Publications related to Real space and reciprocal space investigations of the spin dynamics in skyrmion-hosting materials

Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy

Vladimir Kopysov, Oleg Boyarkine, Aleksandr Pereverzev, Robert Benny Gerber

The intrinsic structure of an opioid peptide [Ala2, Leu5]-leucine enkephalin (ALE) has been investigated using first-principles based vibrational self-consistent field (VSCF) theory and cold ion spectroscopy. IR-UV double resonance spectroscopy revealed th ...

2018

New Insights into the Verwey Transition in Magnetite

Simone Borroni

Magnetite (Fe

_3

O

_4

) is the first magnetic material discovered by mankind. Despite thousands of years of applications, from the magnetic compass to data storage, and decades of basic research, it remains among the most fascinating materials for physicis ...

EPFL2018

Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats

Venkat Kapil

With an increase of computational capabilities, ab initio molecular dynamics becomes the natural choice for exploring the nuclear dynamics of solids. As based on classical mechanics, the validity of this approach is, in-principle, limited to the high-T reg ...

IOP PUBLISHING LTD2018

Lattice-mediated magnetic order melting in TbMnO3

Fabrizio Carbone, Edoardo Baldini

Recent ultrafast magnetic-sensitive measurements [Johnson et al., Phys. Rev. B 92, 184429 (2015); Bothschafter et al., Phys. Rev. B 96, 184414 (2017)] have revealed a delayed melting of the long-range cycloid spin order in TbMnO 3 following photoexcitation ...

2018

Spin dynamics from time-dependent density functional perturbation theory

Iurii Timrov

We present a new method to model spin-wave excitations in magnetic solids, based on the Liouville-Lanczos approach to time-dependent density functional perturbation theory. This method avoids computationally expensive sums over empty states and naturally d ...

SPRINGER2018

Neutron spectroscopy in the layered quantum magnet SrCu₂(BO₃)₂ and in transition metal phosphorus trisulfides (MPS₃)

Diane Virginie Marie Lançon

Collective magnetic excitations are a fascinating aspect of condensed matter physics, where neutron scattering can provide valuable insight into the magnetic properties of physical realisations of model systems. This thesis focuses on the excitation spectr ...

EPFL2017

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

Ursula Röthlisberger, Jiri Vanicek, Swarnendu Bhattacharyya, Sergey Antipov

Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quant ...

2017

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Claudia Giuseppina Fatuzzo

In materials where electrons interact strongly, a number of exotic and exciting phenomena arise. The mechanisms at the base of many of these phenomena remain debated, as strongly correlated electron physics represents one of the biggest challenges for mode ...

EPFL2017

Collective spin excitations of helices and magnetic skyrmions: review and perspectives of magnonics in non-centrosymmetric magnets

Dirk Grundler

Magnetic materials hosting correlated electrons play an important role for information technology and signal processing. The currently used ferro-, ferri- and antiferromagnetic materials provide microscopic moments (spins) that are mainly collinear. Recent ...

Iop Publishing Ltd2017

Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water

Michele Ceriotti, Sylvie Roke, David Mark Wilkins, Andrea Grisafi, Gabriele Tocci, Chung-Wen Liang

Second-harmonic scattering (SHS) experiments provide a unique approach to probe noncentrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells, and tissue. A central assumption made in analyzing SHS experiments is that ea ...

Amer Physical Soc2017

Real space and reciprocal space investigations of the spin dynamics in skyrmion-hosting materials

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Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy

New Insights into the Verwey Transition in Magnetite

Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats

Lattice-mediated magnetic order melting in TbMnO3

Spin dynamics from time-dependent density functional perturbation theory

Neutron spectroscopy in the layered quantum magnet SrCu₂(BO₃)₂ and in transition metal phosphorus trisulfides (MPS₃)

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Collective spin excitations of helices and magnetic skyrmions: review and perspectives of magnonics in non-centrosymmetric magnets

Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water

Spin dynamics from time-dependent density functional perturbation theory

Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy

New Insights into the Verwey Transition in Magnetite

Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats

Neutron spectroscopy in the layered quantum magnet SrCu₂(BO₃)₂ and in transition metal phosphorus trisulfides (MPS₃)

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Collective spin excitations of helices and magnetic skyrmions: review and perspectives of magnonics in non-centrosymmetric magnets

Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water

Lattice-mediated magnetic order melting in TbMnO3