ABSTRACT
The phase diagram of isotropically expanded graphene cannot be correctly predicted by ignoring either electron correlations, or mobile carbons, or the effect of applied stress, as was done so far. We calculate the ground state enthalpy (not just energy) of strained graphene by an accurate off-lattice quantum Monte Carlo correlated ansatz of great variational flexibility. Following undistorted semimetallic graphene at low strain, multideterminant Heitler-London correlations stabilize between ≃8.5% and ≃15% strain an insulating Kekulé-like dimerized (DIM) state. Closer to a crystallized resonating-valence bond than to a Peierls state, the DIM state prevails over the competing antiferromagnetic insulating state favored by density-functional calculations which we conduct in parallel. The DIM stressed graphene insulator, whose gap is predicted to grow in excess of 1 eV before failure near 15% strain, is topological in nature, implying under certain conditions 1D metallic interface states lying in the bulk energy gap.
ABSTRACT
Bodies in relative motion separated by a gap of a few nanometers can experience a tiny friction force. This non-contact dissipation can have various origins and can be successfully measured by a sensitive pendulum atomic force microscope tip oscillating laterally above the surface. Here, we report on the observation of dissipation peaks at selected voltage-dependent tip-surface distances for oxygen-deficient strontium titanate (SrTiO3) surface at low temperatures (T = 5 K). The observed dissipation peaks are attributed to tip-induced charge and spin state transitions in quantum-dot-like entities formed by single oxygen vacancies (and clusters thereof, possibly through a collective mechanism) at the SrTiO3 surface, which in view of technological and fundamental research relevance of the material opens important avenues for further studies and applications.
ABSTRACT
We show that quantum entanglement, nowadays so widely observed and used in a multitude of systems, can be traced in the atomic spins of metal clusters supported on metal surfaces. Most importantly, we show that it can be voluntarily altered with external electric fields. We use a combination of ab initio and model Heisenberg-Dirac-Van Vleck quantum spin Hamiltonian calculations to show, with the example of a prototype system (Mn dimers on Ag(0 0 1) surface), that, in an inherently unentangled system an electric field can 'switch on' the entanglement and significantly change its critical temperature parameter. The physical mechanism allowing such rigorous control of entanglement by an electric field is the field-induced change in the internal magnetic coupling of the supported nanostructure.
ABSTRACT
We review the state of the art of surface magnetic property control with non-magnetic means, concentrating on metallic surfaces and techniques such as charge-doping or external electric field (EEF) application. Magneto-electric coupling via EEF-based charge manipulation is discussed as a way to tailor single adatom spins, exchange interaction between adsorbates or anisotropies of layered systems. The mechanisms of paramagnetic and spin-dependent electric field screening and the effect thereof on surface magnetism are discussed in the framework of theoretical and experimental studies. The possibility to enhance the effect of EEF by immersing the target system into an electrolyte or ionic liquid is discussed by the example of substitutional impurities and metallic alloy multilayers. A similar physics is pointed out for the case of charge traps, metallic systems decoupled from a bulk electron bath. In that case the charging provides the charge carrier density changes necessary to affect the magnetic moments and anisotropies in the system. Finally, the option of using quasi-free electrons rather than localized atomic spins for surface magnetism control is discussed with the example of Shockley-type metallic surface states confined to magnetic nanoislands.
