Quantum matter in high magnetic fields

Abstract:

Understanding superconductivity requires detailed knowledge of the normal electronic state from which it emerges. A nematic electronic state that breaks the rotational symmetry of the lattice can potentially promote unique scattering relevant for superconductivity. Here, we investigate the normal transport of superconducting FeSe$_{1-x}$S$_x$ across a nematic phase transition using high magnetic fields up to 69 T to establish the temperature and field-dependencies. We find that the nematic state is an anomalous non-Fermi liquid, dominated by a linear resistivity at low temperatures that can transform into a Fermi liquid, depending on the composition $x$ and the impurity level. Near the nematic end point, we find an extended temperature regime with $T^{1.5}$ resistivity. The transverse magnetoresistance inside the nematic phase has as a $H^{1.55}$ dependence over a large magnetic field range and it displays an unusual peak at low temperatures inside the nematic phase. Our study reveals anomalous transport inside the nematic phase, driven by the subtle interplay between the changes in the electronic structure of a multi-band system and the unusual scattering processes affected by large magnetic fields and disorder

Abstract:

Understanding superconductivity requires detailed knowledge of the normal electronic state from which it emerges. A nematic electronic state that breaks the rotational symmetry of the lattice can potentially promote unique scattering relevant for superconductivity. Here, we investigate the normal transport of superconducting FeSe 1 − x S x across a nematic phase transition using high-magnetic fields up to 69 T to establish the temperature and field dependencies. We find that the nematic state is dominated by a linear resistivity at low temperatures that evolves towards Fermi-liquid behavior, depending on the composition x and the impurity level. Near the nematic end point, we find an extended temperature regime with ∼ T 1.5 resistivity, different from the behavior found near an antiferromagnetic critical point. The variation of the resistivity exponent with temperature reflects the importance of the nematoelastic coupling that can also suppress divergent critical fluctuations at the nematic end point. The transverse magnetoresistance inside the nematic phase has a ∼ H 1.55 dependence over a large magnetic field range and it displays an unusual peak at low temperatures inside the nematic phase. Our study reveals anomalous transport inside the nematic phase, influenced by both changes in the electronic structure and the scattering with the lattice and spin fluctuations.

Abstract:

We demonstrate the capability of embedded mean-field theory (EMFT) within the linear-scaling density-functional-theory code ONETEP, which enables DFT-in-DFT quantum embedding calculations on systems containing thousands of atoms at a fraction of the cost of a full calculation. We perform simulations on a wide range of systems from molecules to complex nanostructures to demonstrate the performance of our implementation with respect to accuracy and efficiency. This work paves the way for the application of this class of quantum embedding method to large-scale systems that are beyond the reach of existing implementations.