TY - GEN A1 - Noatschk, Katharina A1 - Hofmann, E. V. S. A1 - Dabrowski, Jarek Marek A1 - Curson, Neil J. A1 - Schröder, Thomas A1 - Klesse, Wolfgang Matthias A1 - Seibold, Götz T1 - Ge(001) surface reconstruction with Sn impurities T2 - Surface Science N2 - Defects play an important role for surface reconstructions and therefore also influence the substrate growth. In this work we present a first principle calculation for the Ge(001) surface without and with tin impurities incorporated into the top surface layer. By mapping the system onto an Ising-type model, with interaction constants taken from density functional theory, the stability of the surface reconstructions under the influence of different concentrations of tin impurities is explored. This approach allows us to simulate the possible phase transitions for the different surface reconstructions including the local structure around the tin impurity atoms. In addition, we compare our theoretical results with experimental STM images on clean and Sn-doped Ge(100) surfaces. KW - Gesn KW - DFT KW - Monte carlo simulations KW - Surface reconstruction KW - Impurities Y1 - 2021 UR - https://www.sciencedirect.com/science/article/pii/S0039602821001163?dgcid=author U6 - https://doi.org/10.1016/j.susc.2021.121912 VL - 713 SP - 1 EP - 8 ER - TY - GEN A1 - Wahlberg, Eric A1 - Arpaia, Riccardo A1 - Seibold, Götz A1 - Rossi, Matteo A1 - Fumagalli, Roberto A1 - Trabaldo, Edoardo A1 - Brookes, Nicholas B. A1 - Braicovich, Lucio A1 - Caprara, Sergio A1 - Lombardi, Floriana A1 - Gran, Ulf A1 - Ghiringhelli, Giacomo Claudio A1 - Bauch, Thilo T1 - Restored strange metal phase through suppression of charge density waves in underdoped YBa2Cu3O7–δ T2 - Science N2 - The normal state of optimally doped cuprates is dominated by the “strange metal” phase that shows a linear temperature (T) dependence of the resistivity persisting down to the lowest T. For underdoped cuprates, this behavior is lost below the pseudogap temperature T*, where charge density waves (CDWs), together with other intertwined local orders, characterize the ground state. We found that the T-linear resistivity of highly strained, ultrathin, underdoped YBa2Cu3O7–δ films is restored when the CDW amplitude, detected by resonant inelastic x-ray scattering, is suppressed. This observation suggests an intimate connection between the onset of CDWs and the departure from T-linear resistivity in underdoped cuprates. Our results illustrate the potential of using strain control to manipulate the ground state of quantum materials. KW - Cuprate superconductors KW - Charge-Density Wave Y1 - 2021 UR - https://www.science.org/doi/10.1126/science.abc8372 U6 - https://doi.org/10.1126/science.abc8372 VL - 373 IS - 6562 SP - 1506 EP - 1510 ER - TY - GEN A1 - Martens, Christian A1 - Seibold, Götz T1 - Non-equilibrium dynamics of stripes in cuprate superconductors T2 - Journal of Magnetism and Magnetic Materials N2 - We use the time-dependent Gutzwiller approximation for the single-band Hubbard model to analyze the non-equilibrium dynamics for stripe ground states. In particular, we are interested in the interplay between spin and charge dynamics which is analyzed by quenching the system either in the charge or spin sector. This allows us to investigate the coupled relaxation dynamics as a function of the supplied energy. Further insight is provided by mapping the Gutzwiller dynamics onto a time-dependent Landau approach which lacks the double occupancy contribution to the time-evolution but allows to tune the coupling between spin- and charge degrees of freedom. KW - Hubbard model KW - Gutzwiller approximation KW - Landau KW - Non-equilibrium KW - Charge order KW - Spin order Y1 - 2022 UR - https://www.sciencedirect.com/science/article/pii/S030488532100812X U6 - https://doi.org/10.1016/j.jmmm.2021.168565 SN - 1873-4766 VL - 543 SP - 1 EP - 4 ER - TY - GEN A1 - Caprara, Sergio A1 - Di Castro, Carlo A1 - Mirarchi, Giovanni A1 - Seibold, Götz A1 - Grilli, Marco T1 - Dissipation-driven strange metal behavior T2 - Communications Physics N2 - Anomalous metallic properties are often observed in the proximity of quantum critical points, with violation of the Fermi Liquid paradigm. We propose a scenario where, near the quantum critical point, dynamical fluctuations of the order parameter with finite correlation length mediate a nearly isotropic scattering among the quasiparticles over the entire Fermi surface. This scattering produces a strange metallic behavior, which is extended to the lowest temperatures by an increase of the damping of the fluctuations. We phenomenologically identify one single parameter ruling this increasing damping when the temperature decreases, accounting for both the linear-in-temperature resistivity and the seemingly divergent specific heat observed, e.g., in high-temperature superconducting cuprates and some heavy-fermion metals. KW - Electronic properties and materials KW - Superconducting properties and materials Y1 - 2022 UR - https://www.nature.com/articles/s42005-021-00786-y U6 - https://doi.org/10.1038/s42005-021-00786-y SN - 2399-3650 IS - 5 SP - 1 EP - 7 ER - TY - GEN A1 - Mirarchi, Giovanni A1 - Seibold, Götz A1 - Di Castro, Carlo A1 - Grilli, Marco A1 - Caprara, Sergio T1 - The Strange-Metal Behavior of Cuprates T2 - Condensed Matter N2 - Recent resonant X-ray scattering experiments on cuprates allowed to identify a new kind of collective excitations, known as charge density fluctuations, which have finite characteristic wave vector, short correlation length and small characteristic energy. It was then shown that these fluctuations provide a microscopic scattering mechanism that accounts for the anomalous transport properties of cuprates in the so-called strange-metal phase and are a source of anomalies in the specific heat. In this work, we retrace the main steps that led us to attributing a central role to charge density fluctuations in the strange-metal phase of cuprates, discuss the state of the art on the issue and provide an in-depth analysis of the contribution of charge density fluctuations to the specific heat. KW - high-temperature superconductors KW - cuprates KW - charge density fluctuations KW - strange metal KW - dynamical quantum criticality Y1 - 2022 UR - https://www.mdpi.com/2410-3896/7/1/29/htm U6 - https://doi.org/10.3390/condmat7010029 SN - 2410-3896 VL - 7 IS - 1 SP - 1 EP - 17 ER - TY - GEN A1 - Seibold, Götz A1 - Castellani, Claudio A1 - Lorenzana, José T1 - Adiabatic transition from a BCS superconductor to a Fermi liquid and phase dynamics T2 - Physical Review B N2 - We investigate the physics of an adiabatic transition from a BCS superconductor to a Fermi liquid for an exponentially slow decreasing pairing interaction. We show that, depending on the order of the thermodynamic limit and large times, a situation can arise in which the Fermi liquid keeps a memory of the parent BCS state. Furthermore, a time inversion of the interaction, supplemented by a manipulation analogous to a spin-/photon-echo experiment, allows us to recover the parent BCS state. Moreover, we study the evolution of the order parameter phase ϕ in transforming the BCS superconductor to a conventional metal. Since the global phase is the conjugate variable of the density, we explicitly show how to use the dynamics of ϕ together with gauge invariance to build up the noninteracting chemical potential away from particle-hole symmetry. We further analyze the role of ϕ in restoring the gauge-invariant current response when the noninteracting Fermi liquid is approached starting from a BCS superconductor in the presence of an external vector field. KW - Superconductivity KW - Nonequilibrium systems KW - Adiabatic approximation KW - BCS theory KW - Gauge symmetries KW - Variational approach Y1 - 2022 UR - https://journals.aps.org/prb/abstract/10.1103/PhysRevB.105.184513 U6 - https://doi.org/10.1103/PhysRevB.105.184513 SN - 2469-9969 VL - 105 IS - 18 SP - 184513-1 EP - 184513-14 ER - TY - GEN A1 - Udina, Mattia A1 - Fioro, Jacopo A1 - Cea, Tommaso A1 - Castellani, Claudio A1 - Seibold, Götz A1 - Benfatto, Lara T1 - THz non-linear optical response in cuprates: predominance of the BCS response over the Higgs mode T2 - Faraday Discussions N2 - Recent experiments with strong THz fields in unconventional cuprate superconductors have clearly evidenced an increase of the non-linear optical response below the superconducting critical temperature Tc. As in the case of conventional superconductors, a theoretical estimate of the various effects contributing to the non-linear response is needed in order to interpret the experimental findings. Here, we report a detailed quantitative analysis of the non-linear THz optical kernel in cuprates within a realistic model, accounting for the band structure and disorder level appropriate for these systems. We show that the BCS quasiparticle response is the dominant contribution for cuprates, and its polarization dependence accounts very well for the third-harmonic generation measurements. On the other hand, the polarization dependence of the THz Kerr effect is only partly captured by our calculations, suggesting the presence of additional effects when the system is probed using light pulses with different central frequencies. Y1 - 2022 UR - https://pubs.rsc.org/en/content/articlelanding/2022/FD/D2FD00016D U6 - https://doi.org/10.1039/D2FD00016D SN - 1364-5498 VL - 237 SP - 168 EP - 185 ER - TY - GEN A1 - Mirarchi, Giovanni A1 - Grilli, Marco A1 - Seibold, Götz A1 - Caprara, Sergio T1 - The Shrinking Fermi Liquid Scenario for Strange-Metal Behavior from Overdamped Optical Phonons T2 - Condensed Matter N2 - We discuss how the interaction of electrons with an overdamped optical phonon can give rise to a strange-metal behavior over extended temperature and frequency ranges. Although the mode has a finite frequency, an increasing damping shifts spectral weight to progressively lower energies so that despite the ultimate Fermi liquid character of the system at the lowest temperatures and frequencies, the transport and optical properties of the electron system mimic a marginal Fermi liquid behavior. Within this shrinking Fermi liquid scenario, we extensively investigate the electron self-energy in all frequency and temperature ranges, emphasizing similarities and differences with respect to the marginal Fermi liquid scenario. KW - strange-metal behavior KW - marginal Fermi liquid KW - high-temperature cuprate superconductors Y1 - 2024 UR - https://www.mdpi.com/2410-3896/9/1/14 U6 - https://doi.org/10.3390/condmat9010014 SN - 2410-3896 VL - 9 IS - 1 SP - 1 EP - 13 ER - TY - GEN A1 - Katsumi, Kota A1 - Fiore, Jacopo A1 - Udina, Mattia A1 - Romero, Ralph A1 - Barbalas, David A1 - Jesudasan, John A1 - Raychaudhuri, Pratap A1 - Seibold, Götz A1 - Benfatto, Lara A1 - Armitage, N. P. T1 - Revealing novel aspects of light-matter coupling by Terahertz Two-Dimensional Coherent Spectroscopy: the case of the amplitude mode in superconductors T2 - Physical Review Letters N2 - Recently developed terahertz (THz) two-dimensional coherent spectroscopy (2DCS) is a powerful technique to obtain materials information in a fashion qualitatively different from other spectroscopies. Here, we utilized THz 2DCS to investigate the THz nonlinear response of conventional superconductor NbN. Using broadband THz pulses as light sources, we observed a third-order nonlinear signal whose spectral components are peaked at twice the superconducting gap energy 2⁢Δ. With narrow-band THz pulses, a THz nonlinear signal was identified at the driving frequency Ω and exhibited a resonant enhancement at temperature when Ω=2⁢Δ. General theoretical considerations show that such a resonance can arise only from a disorder-activated paramagnetic coupling between the light and the electronic current. This proves that the nonlinear THz response can access processes distinct from the diamagnetic Raman-like density fluctuations, which are believed to dominate the nonlinear response at optical frequencies in metals. Our numerical simulations reveal that, even for a small amount of disorder, the Ω=2⁢Δ resonance is dominated by the superconducting amplitude mode over the entire investigated disorder range. This is in contrast to other resonances, whose amplitude-mode contribution depends on disorder. Our findings demonstrate the unique ability of THz 2DCS to explore collective excitations inaccessible in other spectroscopies. Y1 - 2024 UR - https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.132.256903 U6 - https://doi.org/10.1103/PhysRevLett.132.256903 VL - 132 ER - TY - GEN A1 - Caprara, Sergio A1 - Di Castro, Carlo A1 - Mirarchi, Giovanni A1 - Seibold, Götz A1 - Grilli, Marco T1 - The shrinking fermi liquid scenario for cuprates under the scrutiny of optical conductivity measurements T2 - Materials N2 - In a recent paper [B. Michon et al., Nat. Commun. (2023) 14:3033], optical conductivity experiments in cuprate superconductors were shown to display scaling properties consistent with the Marginal Fermi Liquid theory. Here, we argue that the temperature regime studied in these experiments does not allow for distinguishing between Marginal Fermi Liquid and Shrinking Fermi Liquid. In the latter scenario, which we recently proposed and which applies near a quantum critical point, dynamical fluctuations of the order parameter with a short correlation length mediate a nearly isotropic scattering among the quasiparticles over the entire Fermi surface leading to strange metal behavior. If the damping of these nearly local fluctuations increases by decreasing the temperature, the Fermi liquid regime shrinks and the strange metal behavior is extended to the lowest temperatures. This Shrinking Fermi Liquid scenario has many similarities and some differences with respect to the Marginal Fermi Liquid theory. In particular, we show that the approximate scaling properties of the optical conductivity in some high-frequency regimes predicted by the Shrinking Fermi Liquid scenario account for a very good description of the experimental data. Y1 - 2024 U6 - https://doi.org/10.3390/ma17235849 SN - 1996-1944 VL - 17 IS - 23 PB - MDPI AG ER -