Observation of competing, correlated ground states in the flat band of rhombohedral graphite.

In crystalline solids, the interactions of charge and spin can result in a variety of emergent quantum ground states, especially in partially filled, topological flat bands such as Landau levels or in "magic angle" graphene layers. Much less explored is rhombohedral graphite (RG), perhaps the simplest and structurally most perfect condensed matter system to host a flat band protected by symmetry. By scanning tunneling microscopy, we map the flat band charge density of 8, 10, 14, and 17 layers and identify a domain structure emerging from a competition between a sublattice antiferromagnetic insulator and a gapless correlated paramagnet. Our density matrix renormalization group calculations explain the observed features and demonstrate that the correlations are fundamentally different from graphene-based magnetism identified until now, forming the ground state of a quantum magnet. Our work establishes RG as a platform to study many-body interactions beyond the mean-field approach, where quantum fluctuations and entanglement dominate.

Uniaxial strain induced topological phase transition in bismuth-tellurohalide-graphene heterostructures.

We explore the electronic structure and topological phase diagram of heterostructures formed of graphene and ternary bismuth tellurohalide layers. We show that mechanical strain inherently present in fabricated samples could induce a topological phase transition in single-sided heterostructures, turning the sample into a novel experimental realisation of a time reversal invariant topological insulator. We construct an effective tight binding description for low energy excitations and fit the model's parameters to ab initio band structures. We propose a simple approach for predicting phase boundaries as a function of mechanical distortions and hence gain a deeper understanding on how the topological phase in the considered system may be engineered.

A multiscale model of the effect of Ir thickness on the static and dynamic properties of Fe/Ir/Fe films.

The complex magnetic properties of Fe/Ir/Fe sandwiches are studied using a hierarchical multi-scale model. The approach uses first principles calculations and thermodynamic models to reveal the equilibrium spinwave, magnetization and dynamic demagnetisation properties. Finite temperature calculations show a complex spinwave dispersion and an initially counter-intuitive, increasing exchange stiffness with temperature (a key quantity for device applications) due to the effects of frustration at the interface, which then decreases due to magnon softening. Finally, the demagnetisation process in these structures is shown to be much slower at the interface as compared with the bulk, a key insight to interpret ultrafast laser-induced demagnetization processes in layered or interface materials.

Precursor configurations and post-rupture evolution of Ag-CO-Ag single-molecule junctions.

Experimental correlation analysis and first-principles theory are used to probe the structure and evolution of Ag-CO-Ag single-molecule junctions both before the formation and after the rupture of the junctions. Two dimensional correlation histograms and conditional histograms demonstrate that prior to the single-molecule bridge configuration the CO molecule is already bound parallel to the Ag single-atom contact. This molecular precursor configuration is accompanied by the opening of additional conductance channels compared to the single-channel transport in pure Ag monoatomic junctions. To investigate the post-rupture evolution of the junction we introduce a cross-correlation analysis between the opening and the subsequent closing conductance traces. This analysis implies that the molecule is bound rigidly to the apex of one electrode, and so the same single-molecule configuration is re-established as the junction is closed. The experimental results are confirmed by ab initio simulations of the evolution of contact geometries, transmission eigenvalues and scattering wavefunctions.

Carbon nanotube Archimedes screws.

Recently, nanomechanical devices composed of a long stationary inner carbon nanotube and a shorter, slowly rotating outer tube have been fabricated. In this paper, we study the possibility of using such devices as nanoscale transducers of motion into electricity. When the outer tube is chiral, we show that such devices act like quantum Archimedes screws, which utilize mechanical energy to pump electrons between reservoirs. We calculate the pumped charge from one end of the inner tube to the other, driven by the rotation of a chiral outer nanotube. We show that the pumped charge can be greater than one electron per 360° rotation, and consequently, such a device operating with a rotational frequency of 10 MHz, for example, would deliver a current of ≈1 pAmp.

Adsorbate-limited conductivity of graphene.

We present a theory of electronic transport in graphene in the presence of randomly placed adsorbates. Our analysis predicts a marked asymmetry of the conductivity about the Dirac point, as well as a negative weak-localization magnetoresistivity. In the region of strong scattering, renormalization group corrections drive the system further towards insulating behavior. These results explain key features of recent experiments, and are validated by numerical transport computations.