arXiv subjects

Maria Eleonora Temperini

Publications and source records attributed to Maria Eleonora Temperini.

6 recordsLinked to original sources

arXiv2026

Two-phonon pairing and superconductivity in $SrTiO_3$

We explore the possibility that the two-phonon pairing mechanism proposed by Ngai can explain superconductivity in doped strontium titanate (STO). The two-phonon deformation potential is evaluated using two distinct theoretical estimates based on first-principles calculations and two empirical estimates based on experimental data, yielding very large values of the same order of magnitude. We derive the effective electron-electron interaction mediated by two-phonon exchange. Crucial to our computations is the strong dispersion of the involved soft phonons. Because the scale of the two-phonon interaction is much larger than the Fermi energy, the Migdal theorem does not apply. We obtain a one-loop Eliashberg equation that can be solved in the weak-coupling limit. We find that despite the significant electron-phonon matrix element, phase space considerations considerably reduce the effective coupling. A two-phonon mechanism can not be excluded based on the $T_c$ magnitude, but its value is dominated by the high-energy-frequency physics and is weakly affected by the soft-phonon behavior. The theory predicts a $T_c$ that monotonously increases with doping, which is not in accordance with the experiment. We identify the conditions for a two-phonon mechanism to be effective in other materials and discuss possible candidates.

cond-mat.supr-con↗

arXiv2026

THz near-field nanoscopy employing coherent synchrotron radiation

We demonstrate that the coherent synchrotron radiation (CSR) can be used for the scattering type near-field scanning optical microscopy (s-SNOM). Using a commercially available s-SNOM coupled to a synchrotron source we perform THz imaging and spectroscopy experiments in the spectral range of 25-55 cm-1 and spatial resolution of 60 nm. It is shown that the same optical configuration can be used for nanoscopy in the range of 25 to 4000 cm-1. Conducting experiments across the THz, far-, and mid-IR spectral ranges within a single setup offers a unique capability for the ultrabroadband characterization of complex materials in both life and material sciences at the nanoscale.

physics.optics↗

arXiv2024

How orbitals and oxidation states determine apparent topographies in scanning tunneling microscopy: the case of fluorine on silver surfaces

We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the most favorable for F adatoms. In the Ag(110) surface, three adsorption sites, namely hollow, long bridge, and short bridge, exhibit similar energies. These locations are also more favorable than an F adatom occupying a vacancy site irrespectively of whether the vacancy was present or not in the pristine surface. The computed energy as a function of surface coverage is used to compute the equilibrium thermodynamics phase diagram. We argue that for the typical pressure and temperature of fluorination experiments, the state of the surface is not determined by thermodynamics but by kinetics. Combining these results with scanning tunneling microscopy (STM) topographic simulations, we propose assignments to features observed experimentally. We present a minimal model of the apparent topography of adatoms in different locations in terms of hydrogenic orbitals, explaining the observed trends. The model links the STM apparent topography to structural information and the oxidation states of the Ag atoms near the adatom.

cond-mat.mtrl-sci↗

arXiv2023

Generalized Rashba Electron-Phonon Coupling and Superconductivity in Strontium Titanate

SrTiO3 is known for its proximity to a ferroelectric phase and for showing an 'optimal' doping for superconductivity with a characteristic dome-like behaviour resembling systems close to a quantum critical point. Several mechanisms have been proposed to link these phenomena, but the abundance of undetermined parameters prevents a definite assessment. Here, we use ab initio computations supplemented with a microscopic model to study the linear coupling between conduction electrons and the ferroelectric soft transverse modes allowed in the presence of spin-orbit coupling. We find a robust Rashba-like coupling, which can become surprisingly strong for particular forms of the polar eigenvector. We characterize this sensitivity for general eigenvectors and, for the particular form deduced by hyper-Raman scattering experiments, we find a BCS pairing coupling constant of the right order of magnitude to support superconductivity. The ab initio computations enable us to go beyond the linear-in-momentum conventional Rashba-like interaction and naturally explain the dome behaviour including a characteristic asymmetry. The dome is attributed to a momentum dependent quenching of the angular momentum due to a competition between spin-orbit and hopping energies. The optimum density for having maximum Tc results in rather good agreement with experiments without free parameters. These results make the generalized Rashba dynamic coupling to the ferroelectric soft mode a compelling pairing mechanism to understand bulk superconductivity in doped SrTiO3.

cond-mat.supr-con↗

arXiv2022

Anisotropic Rashba coupling to polar modes in KTaO3

Motivated by the discovery of superconductivity in KTaO3-based heterostructures, we study a pairing mechanism based on spin-orbit assisted coupling between the conduction electrons and the ferroelectric modes present in the material. We use ab initio frozen-phonon computations to show a linear-in-momentum Rashba-like coupling with a strong angular dependence in momentum for the lower j=3/2 manifold, deviating from the conventional isotropic Rashba model. This implies the Rashba-like interaction with the polar modes has substantial L=3 cubic harmonic corrections, which we quantify for each electronic band. The strong anisotropy of the Rashba interaction is captured by a microscopic toy model for the t2g electrons. We find its origin to be the angular dependence in electronic momentum imposed by the kinetic term on the degenerate j=3/2 manifold. A comparison between the toy model and ab initio results indicate that additional symmetry allowed terms beyond odd-parity spin-conserving inter-orbital hopping processes are needed to describe the Rashba-like polar interaction between the electrons and the soft ferroelectric mode.

cond-mat.supr-con↗

arXiv2022

Theory of superconductivity mediated by Rashba coupling in incipient ferroelectrics

Experimental evidence suggests that superconductivity in SrTiO$_3$ is mediated by a soft transverse ferroelectric mode which, according to conventional theories, has negligible coupling with electrons. A phenomenological Rashba type coupling has been proposed on symmetry arguments but a microscopic derivation is lacking. Here we fill this gap and obtain a linear coupling directly from a minimal microscopic model of the electronic structure. We find that the effective electron-electron pairing interaction has a strong momentum dependence. This yields an unusual situation in which the leading $s$-wave channel is followed by a sub-leading $p$-wave state which shows a stronger pairing instability than the $d$-wave state. The bare Rashba coupling constant is estimated for the lowest band of doped SrTiO$_3$ with the aid of first-principles computations. Extrapolating the estimation to the multi-band regime we show that it can explain bulk superconductivity. For densities where the Meissner effect has not been observed an extra softening due to inhomogeneities is needed to explain the zero resistance state.

cond-mat.supr-con↗