Ab initio calculation of the shift photocurrent by Wannier interpolation

We describe and implement a first-principles algorithm based on maximally-localized Wannier functions for calculating the shift-current response of piezoelectric crystals in the independent-particle approximation. The proposed algorithm presents several advantages over existing ones, including full gauge invariance, low computational cost, and a correct treatment of the optical matrix elements with nonlocal pseudopotentials. Band-truncation errors are avoided by a careful formulation of $k\cdot p$ perturbation theory within the subspace of wannierized bands. The needed ingredients are the matrix elements of the Hamiltonian and of the position operator in the Wannier basis, which are readily available at the end of the wannierization step. If the off-diagonal matrix elements of the position operator are discarded, our expressions reduce to the ones that have been used in recent tight-binding calculations of the shift current. We find that this `diagonal' approximation can introduce sizeable errors, highlighting the importance of carefully embedding the tight-binding model in real space for an accurate description of the charge transfer that gives rise to the shift current.Comment: 13 pages, 7 figure

Tuning paramagnetic spin-excitations of single adatoms

Around 50 years ago, Doniach [Proc. Phys. Soc. 91, 86 (1967)] predicted the existence of paramagnons in nearly ferromagnetic materials, recently measured in bulk Pd [Phys. Rev. Lett. 105, 027207 (2010)]. Here we predict the analogous effect for single adatoms, namely paramagnetic spin-excitations (PSE). Based on time-dependent density functional theory, we demonstrate that these overdamped excitations acquire a well-defined peak structure in the meV energy region when the adatom's Stoner criterion for magnetism is close to the critical point. In addition, our calculations reveal a subtle tunability and enhancement of PSE by external magnetic fields, exceeding by far the response of bulk paramagnons and even featuring the atomic version of a quantum phase transition. We further demonstrate how PSE can be detected as moving steps in the $\mathrm{d}I/dV$ signal of state-of-the-art inelastic scanning tunneling spectroscopy, opening a potential route for experimentally accessing fundamental electronic properties of non-magnetic adatoms, such as the Stoner parameter.Comment: 6 pages, 3 figure

Zero-point quantum swing of magnetic couples

Quantum fluctuations are ubiquitous in physics. Ranging from conventional examples like the harmonic oscillator to intricate theories on the origin of the universe, they alter virtually all aspects of matter -- including superconductivity, phase transitions and nanoscale processes. As a rule of thumb, the smaller the object, the larger their impact. This poses a serious challenge to modern nanotechnology, which aims total control via atom-by-atom engineered devices. In magnetic nanostructures, high stability of the magnetic signal is crucial when targeting realistic applications in information technology, e.g. miniaturized bits. Here, we demonstrate that zero-point spin-fluctuations are paramount in determining the fundamental magnetic exchange interactions that dictate the nature and stability of the magnetic state. Hinging on the fluctuation-dissipation theorem, we establish that quantum fluctuations correctly account for the large overestimation of the interactions as obtained from conventional static first-principles frameworks, filling in a crucial gap between theory and experiment [1,2]. Our analysis further reveals that zero-point spin-fluctuations tend to promote the non-collinearity and stability of chiral magnetic textures such as skyrmions -- a counter-intuitive quantum effect that inspires practical guidelines for designing disruptive nanodevices

A Geometry of the Generations

We propose a geometric theory of flavor based on the discrete group $(S_3)^3$, in the context of the minimal supersymmetric standard model. The group treats three objects symmetrically, while making fundamental distinctions between the generations. The top quark is the only heavy quark in the symmetry limit, and the first and second generation squarks are degenerate. The hierarchical nature of Yukawa matrices is a consequence of a sequential breaking of $(S_3)^3$.Comment: 10 pages, 1 EPS figure as uuencoded tar-compressed file, uses psfig.st

Radiative Electroweak Symmetry Breaking and the Infrared Fixed Point of the Top Quark Mass

The infrared quasi fixed point solution for the top quark mass in the Minimal Supersymmetric Standard Model explains in a natural way large values of the top quark mass and appears as a prediction in many interesting theoretical schemes. Moreover, as has been recently pointed out, for moderate values of $\tan\beta$, in order to achieve gauge and bottom-tau Yukawa coupling unification, the top quark mass must be within $10 \%$ of its fixed point value. In this work we show that the convergence of the top quark mass to its fixed point value has relevant consequences for the (assumed) universal soft supersymmetry breaking parameters at the grand unification scale. In particular, we show that the low energy parameters do not depend on $A_0$ and $B_0$ but on the combination $\delta = B_0 - A_0/2$. Hence, there is a reduction in the number of independent parameters. Most interesting, the radiative $SU(2)_L \times U(1)_Y$ breaking condition implies strong correlations between the supersymmetric mass parameter $\mu$ and the supersymmetry breaking parameters $\delta$ and $M_{1/2}$ or $m_0$. These correlations, which become stronger for $\tan\beta < 2$, may have some fundamental origin, which would imply the need of a reformulation of the naive fine tuning criteria.Comment: 17 pages, 5 figures, CERN-TH.7060/9

Self-similar static solutions admitting a two-space of constant curvature

A recent result by Haggag and Hajj-Boutros is reviewed within the framework of self-similar space-times, extending, in some sense, their results and presenting a family of metrics consisting of all the static spherically symmetric perfect fluid solutions admitting a homothety.Comment: 6 page

Inverting the Supersymmetric Standard Model Spectrum: from Physical to Lagrangian Ino Parameters

We examine the possibility of recovering the supersymmetric (and soft supersymmetry breaking) Lagrangian parameters as direct {\em analytical} expressions of appropriate physical masses, for the unconstrained (but CP and R-parity conserving) minimal supersymmetric standard model. We concentrate mainly on the algebraically non-trivial "inversion" for the ino parameters, and obtain, for given values of $\tan\beta$, simple analytical expressions for the $\mu$, $M_1$ and $M_2$ parameters in terms of three arbitrary input physical masses, namely either two chargino and one neutralino masses, or alternatively one chargino and two neutralino masses. We illustrate and discuss in detail the possible occurrence of ambiguities in this reconstruction. The dependence of the resulting ino Lagrangian parameters upon physical masses is illustrated, and some simple generic behaviour uncovered in this way. We finally briefly sketch generalizing such an inversion to the full set of MSSM Lagrangian parameters.Comment: Latex, 28 pages, 6 figures, 1 table, some typos corrected, one paragraph extended in section 4.2. Version to appear in Phys. Rev.