*Phys Rev Lett ; 127(17): 176801, 2021 Oct 22.*

##### RESUMO

We derive a kinetic theory capable of dealing both with large spin-orbit coupling and Kondo screening in dilute magnetic alloys. We obtain the collision integral nonperturbatively and uncover a contribution proportional to the momentum derivative of the impurity scattering S matrix. The latter yields an important correction to the spin diffusion and spin-charge conversion coefficients, and fully captures the so-called side-jump process without resorting to the Born approximation (which fails for resonant scattering), or to otherwise heuristic derivations. We apply our kinetic theory to a quantum impurity model with strong spin-orbit, which captures the most important features of Kondo-screened Cerium impurities in alloys such as Ce_{x}La_{1-x}Cu_{6}. We find (1) a large zero-temperature spin-Hall conductivity that depends solely on the Fermi wave number and (2) a transverse spin diffusion mechanism that modifies the standard Fick's diffusion law. Our predictions can be readily verified by standard spin-transport measurements in metal alloys with Kondo impurities.

*Nat Nanotechnol ; 15(8): 656-660, 2020 Aug.*

##### RESUMO

A classical battery converts chemical energy into a persistent voltage bias that can power electronic circuits. Similarly, a phase battery is a quantum device that provides a persistent phase bias to the wave function of a quantum circuit. It represents a key element for quantum technologies based on phase coherence. Here we demonstrate a phase battery in a hybrid superconducting circuit. It consists of an n-doped InAs nanowire with unpaired-spin surface states, that is proximitized by Al superconducting leads. We find that the ferromagnetic polarization of the unpaired-spin states is efficiently converted into a persistent phase bias φ0 across the wire, leading to the anomalous Josephson effect1,2. We apply an external in-plane magnetic field and, thereby, achieve continuous tuning of φ0. Hence, we can charge and discharge the quantum phase battery. The observed symmetries of the anomalous Josephson effect in the vectorial magnetic field are in agreement with our theoretical model. Our results demonstrate how the combined action of spin-orbit coupling and exchange interaction induces a strong coupling between charge, spin and superconducting phase, able to break the phase rigidity of the system.

*Acta Crystallogr B Struct Sci Cryst Eng Mater ; 75(Pt 2): 201-209, 2019 Apr 01.*

##### RESUMO

Here an approach is presented for reconstructing the distribution of electronic internal quantum pressure in the electronic continuum of solids from the experimental electron density. Using the formalism of the density functional theory, the spatial inner-crystal map of the quantum pressure is obtained. The results are visualized via the indicator of quantum pressure focusing (IQPF) which reveals the regions where the pressure is concentrated or depleted due to quantum effects. IQPF contains all quantum electron-shell structure-forming contributions resulting from kinetic, exchange and correlation effects, and presents a clear picture of the chemical bond features in crystals with different type of bonding mechanisms.

*Phys Rev Lett ; 116(23): 237002, 2016 Jun 10.*

##### RESUMO

A Josephson junction made of a generic magnetic material sandwiched between two conventional superconductors is studied in the ballistic semiclassic limit. The spectrum of Andreev bound states is obtained from the single valuedness of a particle-hole spinor over closed orbits generated by electron-hole reflections at the interfaces between superconducting and normal materials. The semiclassical quantization condition is shown to depend only on the angle mismatch between initial and final spin directions along such closed trajectories. For the demonstration, an Andreev-Wilson loop in the composite position-particle-hole-spin space is constructed and shown to depend on only two parameters, namely, a magnetic phase shift and a local precession axis for the spin. The details of the Andreev-Wilson loop can be extracted via measuring the spin-resolved density of states. A Josephson junction can thus be viewed as an analog computer of closed-path-ordered exponentials.

*Phys Rev Lett ; 115(9): 093001, 2015 Aug 28.*

##### RESUMO

We propose an orbital exchange-correlation functional for applying time-dependent density functional theory to many-electron systems coupled to cavity photons. The time nonlocal equation for the electron-photon optimized effective potential (OEP) is derived. In the static limit our OEP energy functional reduces to the Lamb shift of the ground state energy. We test the new approximation in the Rabi model. It is shown that the OEP (i) reproduces quantitatively the exact ground-state energy from the weak to the deep strong coupling regime and (ii) accurately captures the dynamics entering the ultrastrong coupling regime. The present formalism opens the path to a first-principles description of correlated electron-photon systems, bridging the gap between electronic structure methods and quantum optics for real material applications.

*Phys Rev Lett ; 104(21): 216404, 2010 May 28.*

##### RESUMO

By first-principles methods we analyze the optical response of transparent dense sodium as a function of applied pressure. We discover an unusual kind of charge-transfer exciton that proceeds from the interstitial distribution of valence electrons. The absorption spectrum is strongly anisotropic, which, just at pressures above the metal-insulator transition, manifests as sodium being optically transparent in one direction but reflective in the other. This result provides key information about the crystal structure of transparent sodium, a new unconventional inorganic electride.

##### Assuntos

Pressão , Sódio/química , Absorção , Cristalização , Transporte de Elétrons , Modelos Moleculares , Modelos Teóricos , Conformação Molecular , Fenômenos Ópticos , Análise Espectral*Phys Rev Lett ; 104(22): 226804, 2010 Jun 04.*

##### RESUMO

Using first principles many-body theory methods (GW+Bethe-Salpeter equation) we demonstrate that the optical properties of graphane are dominated by localized charge-transfer excitations governed by enhanced electron correlations in a two-dimensional dielectric medium. Strong electron-hole interaction leads to the appearance of small radius bound excitons with spatially separated electron and hole, which are localized out of plane and in plane, respectively. The presence of such bound excitons opens the path towards an excitonic Bose-Einstein condensate in graphane that can be observed experimentally.

##### Assuntos

Elétrons , Grafite/química , Transporte de Elétrons , Hidrogenação , Modelos Moleculares , Conformação Molecular , Teoria Quântica*Phys Rev Lett ; 99(5): 057401, 2007 Aug 03.*

##### RESUMO

Measurable spectra are often derived from contractions of many-body Green's functions. One calculates hence more information than needed. Here we present and illustrate an in principle exact approach to construct effective potentials and kernels for the direct calculation of electronic spectra. In particular, a dynamical but local and real potential yields the spectral function needed to describe photoemission. We discuss for model solids the frequency dependence of this "photoemission potential" stemming from the nonlocality of the corresponding self-energy.