Unconventional localization of electrons inside of a nematic electronic phase

University of Oxford (2022)

Authors:

Amalia Coldea, Liam Farrar, Zachary Zajicek, Archie Morfoot, Simon Bending

Abstract:

These are magnetotransport data on devices made of thin flakes of FeSe. The data were collected in a cryostat in magnetic fields as a function of temperature and at fixed temperatures the magnetic field was ramped to the maximum value both in the CFAS lab in Oxford and at the HMFL in Nijmegen. The magnetotransport data were collected using Hall bar geometries or a spider geometry. The data contain mainly ASCII files and the PDF figures are provided. This work is part of the publication "Unconventional localization of electrons inside of a nematic electronic phase" which will appear in PNAS 2022.

Signatures of a quantum Griffiths phase close to an electronic nematic quantum phase transition

Physical Review Letters American Physical Society 127:24 (2021) 246402

Authors:

Pascal Reiss, David Graf, Amir Haghighirad, Thomas Vojta, Amalia Coldea

Abstract:

In the vicinity of a quantum critical point, quenched disorder can lead to a quantum Griffiths phase, accompanied by an exotic power-law scaling with a continuously varying dynamical exponent that diverges in the zero-temperature limit. Here, we investigate a nematic quantum critical point in the iron-based superconductor FeSe 0.89 S 0.11 using applied hydrostatic pressure. We report an unusual crossing of the magnetoresistivity isotherms in the nonsuperconducting normal state that features a continuously varying dynamical exponent over a large temperature range. We interpret our results in terms of a quantum Griffiths phase caused by nematic islands that result from the local distribution of Se and S atoms. At low temperatures, the Griffiths phase is masked by the emergence of a Fermi liquid phase due to a strong nematoelastic coupling and a Lifshitz transition that changes the topology of the Fermi surface.

Accurate and efficient computation of optical absorption spectra of molecular crystals: The case of the polymorphs of roy

Journal of Chemical Theory and Computation (2021)

Authors:

Jca Prentice, Aa Mostofi

Abstract:

When calculating the optical absorption spectra of molecular crystals from first principles, the influence of the crystalline environment on the excitations is of significant importance. For such systems, however, methods to describe the excitations accurately can be computationally prohibitive due to the relatively large system sizes involved. In this work, we demonstrate a method that allows optical absorption spectra to be computed both efficiently and at high accuracy. Our approach is based on the spectral warping method successfully applied to molecules in solvent. It involves calculating the absorption spectrum of a supercell of the full molecular crystal using semi-local time-dependent density functional theory (TDDFT), before warping the spectrum using a transformation derived from smaller-scale semi-local and hybrid TDDFT calculations on isolated dimers. We demonstrate the power of this method on three polymorphs of the well-known color polymorphic compound ROY and find that it outperforms both small-scale hybrid TDDFT dimer calculations and large-scale semi-local TDDFT supercell calculations, when compared to the experiment.

Strain-tuning of nematicity and superconductivity in single crystals of FeSe

Phys. Rev. B 103, 205139 (2021) American Physical Society (2021)

Authors:

Michele Ghini, Matthew Bristow, Joseph CA Prentice, Samuel Sutherland, Samuele Sanna, Amir A Haghighirad, Amalia I Coldea

Abstract:

Strain is a powerful experimental tool to explore new electronic states and understand unconventional superconductivity. Here, we investigate the effect of uniaxial strain on the nematic and superconducting phase of single crystal FeSe using magnetotransport measurements. We find that the resistivity response to the strain is strongly temperature dependent and it correlates with the sign change in the Hall coefficient being driven by scattering, coupling with the lattice and multiband phenomena. Band structure calculations suggest that under strain the electron pockets develop a large in-plane anisotropy as compared with the hole pocket. Magnetotransport studies at low temperatures indicate that the mobility of the dominant carriers increases with tensile strain. Close to the critical temperature, all resistivity curves at constant strain cross in a single point, indicating a universal critical exponent linked to a strain-induced phase transition. Our results indicate that the superconducting state is enhanced under compressive strain and suppressed under tensile strain, in agreement with the trends observed in FeSe thin films and overdoped pnictides, whereas the nematic phase seems to be affected in the opposite way by the uniaxial strain. By comparing the enhanced superconductivity under strain of different systems, our results suggest that strain on its own cannot account for the enhanced high $T_c$ superconductivity of FeSe systems.

Strain-tuning of nematicity and superconductivity in single crystals of FeSe

Physical Review B American Physical Review 103:2021 (2021) 205139

Authors:

Michele Ghini, Matthew Bristow, Joseph Prentice, Samuel Sutherland, Samuele Sanna, Amir A Haghighirad, Amalia I Coldea

Abstract:

Strain is a powerful experimental tool to explore new electronic states and understand unconventional superconductivity. Here, we investigate the effect of uniaxial strain on the nematic and superconducting phase of single crystal FeSe using magnetotransport measurements. We find that the resistivity response to the strain is strongly temperature dependent and it correlates with the sign change in the Hall coefficient being driven by scattering, coupling with the lattice and multiband phenomena. Band structure calculations suggest that under strain the electron pockets develop a large in-plane anisotropy as compared with the hole pocket. Magnetotransport studies at low temperatures indicate that the mobility of the dominant carriers increases with tensile strain. Close to the critical temperature, all resistivity curves at constant strain cross in a single point, indicating a universal critical exponent linked to a strain-induced phase transition. Our results indicate that the superconducting state is enhanced under compressive strain and suppressed under tensile strain, in agreement with the trends observed in FeSe thin films and overdoped pnictides, whereas the nematic phase seems to be affected in the opposite way by the uniaxial strain. By comparing the enhanced superconductivity under strain of different systems, our results suggest that strain on its own cannot account for the enhanced high $T_c$ superconductivity of FeSe systems.