Enhanced Critical Field of Superconductivity at an Oxide Interface.

The nature of superconductivity and its interplay with strong spin-orbit coupling at the KTaO3(111) interfaces remain a subject of debate. To address this problem, we grew epitaxial LaMnO3/KTaO3(111) heterostructures. We show that superconductivity is robust against the in-plane magnetic field, with the critical field of superconductivity reaching ∼25 T in optimally doped heterostructures. The superconducting order parameter is highly sensitive to the carrier density. We argue that spin-orbit coupling drives the formation of anomalous quasiparticles with vanishing magnetic moment, providing significant condensate immunity against magnetic fields beyond the Pauli paramagnetic limit. These results offer design opportunities for superconductors with extreme resilience against the applied magnetic fields.

Charge doping to flat AgF2 monolayers in a chemical capacitor setup.

Flat monolayers of silver(II) fluoride, which could be obtained by epitaxial deposition on an appropriate substrate, have been recently predicted to exhibit very strong antiferro-magnetic superexchange and to have large potential for ambient pressure superconductivity if doped to an optimal level. It was shown that AgF2 could become a magnetic glue-based superconductor with a critical superconducting temperature approaching 200 K at optimum doping. In the current work we calculate the optimum doping to correspond to 14% of holes per formula unit, i.e. quite similar to that for oxocuprates(II). Furthermore, using DFT calculations we show that flat [AgF2] single layers can indeed be doped to a controlled extent using a recently proposed "chemical capacitor" setup. Hole doping associated with the formation of Ag(III) proves to be difficult to achieve in the setup explored in this work as it falls at the verge of charge stability of fluoride anions and does not affect the d(x2 - y2) manifold. However, in the case of electron doping, manipulation of different factors - such as the number of dopant layers and the thickness of the separator - permits fine tuning of the doping level (and concomitantly TC) all the way from the underdoped to overdoped regime (in a similar manner to chemical doping for the Nd2CuO4 analogue).

Separation-Controlled Redox Reactions.

In the era of molecular devices and nanotechnology, precise control over electron-transfer processes is strongly desired. However, redox reactions are usually characterized by reaction equilibrium constants strongly departing from unity. This leads to strong favoring of either reactants or products and does not permit subtle control of transferred charge (doping). Here we propose, based on theoretical studies for periodic systems, how charge transfer between reactants could be finely manipulated in the epitaxially grown system composed of extremely strong oxidizer, reducing agent, and an inert separator-the key factor of control.

Gigantic work function in layered AgF2.

AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-TC superconductors. It is also interesting as it is a powerful oxidizer. Here we present a first principles computation of its electronic properties in a slab geometry including its work function for the (010) surface (7.76 eV) which appears to be the highest among known materials with non-dipolar surfaces, and surpassing even that of fluorinated diamond (7.24 eV). We demonstrate that AgF2 will show a "broken-gap" type alignment becoming electron doped and promoting injection of holes in many wide band gap insulators if chemical reaction can be avoided. Novel junction devices involving p type and n type superconductors have been proposed. The issue of chemical reaction is discussed in connection with the possibility to create flat AgF2 monolayers achieving high-TC superconductivity. As a first step in this direction, we studied the stability and properties of an isolated AgF2 monolayer.

Silver route to cuprate analogs.

The parent compound of high-[Formula: see text] superconducting cuprates is a unique Mott insulator consisting of layers of spin-[Formula: see text] ions forming a square lattice and with a record high in-plane antiferromagnetic coupling. Compounds with similar characteristics have long been searched for without success. Here, we use a combination of experimental and theoretical tools to show that commercial [Formula: see text] is an excellent cuprate analog with remarkably similar electronic parameters to [Formula: see text] but larger buckling of planes. Two-magnon Raman scattering and inelastic neutron scattering reveal a superexchange constant reaching 70% of that of a typical cuprate. We argue that structures that reduce or eliminate the buckling of the [Formula: see text] planes could have an antiferromagnetic coupling that matches or surpasses the cuprates.

Dramatic enhancement of spin-spin coupling and quenching of magnetic dimensionality in compressed silver difluoride.

Meta-GGA calculations of the ambient and high-pressure polymorphs of silver difluoride indicate that the compression-induced structural changes lead to a 3.5-fold increase in the strength of antiferromagnetic spin-spin interactions resulting in coupling constant values higher than those found for record-holding oxocuprates(ii).

Thermal properties of vortices on curved surfaces.

We use Monte Carlo simulations to study the finite temperature behavior of vortices in the XY model for tangent vector order on curved backgrounds. Contrary to naive expectations, we show that the underlying geometry does not affect the proliferation of vortices with temperature respect to what is observed on a flat surface. Long-range order in these systems is analyzed by using two-point correlation functions. As expected, in the case of slightly curved substrates these correlations behave similarly to the plane. However, for high curvatures, the presence of geometry-induced unbounded vortices at low temperatures produces the rapid decay of correlations and an apparent lack of long-range order. Our results shed light on the finite-temperature physics of soft-matter systems and anisotropic magnets deposited on curved substrates.

Phase nucleation in curved space.

Nucleation and growth is the dominant relaxation mechanism driving first-order phase transitions. In two-dimensional flat systems, nucleation has been applied to a wide range of problems in physics, chemistry and biology. Here we study nucleation and growth of two-dimensional phases lying on curved surfaces and show that curvature modifies both critical sizes of nuclei and paths towards the equilibrium phase. In curved space, nucleation and growth becomes inherently inhomogeneous and critical nuclei form faster on regions of positive Gaussian curvature. Substrates of varying shape display complex energy landscapes with several geometry-induced local minima, where initially propagating nuclei become stabilized and trapped by the underlying curvature.

Proximity of iron pnictide superconductors to a quantum tricritical point.

In several materials, unconventional superconductivity appears nearby a quantum phase transition where long-range magnetic order vanishes as a function of a control parameter like charge doping, pressure or magnetic field. The nature of the quantum phase transition is of key relevance, because continuous transitions are expected to favour superconductivity, due to strong fluctuations. Discontinuous transitions, on the other hand, are not expected to have a similar role. Here we determine the nature of the magnetic quantum phase transition, which occurs as a function of doping, in the iron-based superconductor LaFeAsO(1-x)F(x). We use constrained density functional calculations that provide ab initio coefficients for a Landau order parameter analysis. The outcome is intriguing, as this material turns out to be remarkably close to a quantum tricritical point, where the transition changes from continuous to discontinuous, and several susceptibilities diverge simultaneously. We discuss the consequences for superconductivity and the phase diagram.

High-T(c) ferroelectricity emerging from magnetic degeneracy in cupric oxide.

Cupric oxide is multiferroic at unusually high temperatures. From density functional calculations we find that the low-T magnetic phase is paraelectric, and the higher-T one is ferroelectric with a size and direction of polarization in good agreement with experiments. By mapping the ab initio results on to an effective spin model, we show that the system has a manifold of almost degenerate ground states. In the high-T magnetic state noncollinearity and inversion symmetry breaking stabilize each other via the Dzyaloshinskii-Moriya interaction. This leads to an unconventional mechanism for multiferroicity, with the particular property that nonmagnetic impurities enhance the effect.

Viscoelasticity and metastability limit in supercooled liquids.

A supercooled liquid is said to have a kinetic spinodal if a temperature Tsp exists below which the liquid relaxation time exceeds the crystal nucleation time. We revisit classical nucleation theory taking into account the viscoelastic response of the liquid to the formation of crystal nuclei and find that the kinetic spinodal is strongly influenced by elastic effects. We introduce a dimensionless parameter lambda, which is essentially the ratio between the infinite frequency shear modulus and the enthalpy of fusion of the crystal. In systems where lambda is larger than a critical value lambda(c) the metastability limit is totally suppressed, independently of the surface tension. On the other hand, if lambda