arXiv subjects
Publications and source records attributed to Alberto Garcia.
We study plane-fronted electrovacuum waves in metric-affine gravity theories (MAG) with cosmological constant. Their field strengths are, on the gravitational side, curvature $R_α{}^β$, nonmetricity $Q_{αβ}$, torsion $T^α$ and, on the matter side, the electromagnetic field strength $F$. Our starting point is the work by Ozsváth, Robinson, and Rózga on type N gravitational fields in general relativity as coupled to null electromagnetic fields.
(2+1)-regular static black hole solutions with a nonlinear electric field are derived. The source to the Einstein equations is an energy momentum tensor of nonlinear electrodynamics, which satisfies the weak energy conditions and in the weak field limit becomes the (2+1)-Maxwell field tensor. The derived class of solutions is regular; the metric, curvature invariants and electric field are regular everywhere. The metric becomes, for a vanishing parameter, the (2+1)-static charged BTZ solution. A general procedure to derive solutions for the static BTZ (2+1)-spacetime, for any nonlinear Lagrangian depending on the electric field is formulated; for relevant electric fields one requires the fulfillment of the weak energy conditions.
We have performed detailed first-principles calculations to determine the eigenvectors of the zone-center modes of hexagonal BaTiO3 and shown that the experimentally relevant low-energy modes (including the non-polar instability) can be represented as suitable combinations of basic local polar distortions associated with the instability of the cubic perovskite phase. The hexagonal structure provides a testing ground for the analysis of the influence of the stacking of TiO6 octahedra: the occurrence of relatively high-energy chains of dipoles highlights the importance of local effects related to the coherent hybridization enhancement between Ti and O ions. Our results provide simple heuristic rules that could be useful for the analysis of related compounds.
It is shown that the charged non-diagonal BTZ (2+1)-spacetime is not a solution of the Einstein-Maxwell field equations with cosmological constant.
Hexagonal BaTiO_3 undergoes a structural phase transition to an orthorhombic C222_1 phase at T_0 = 222 K. The transition is driven by a soft optical mode with E_2u symmetry whose couplings force the appearance of a spontaneous E_2g strain (improper ferroelastic character). Staying within the same E_2u subspace, the system could in principle settle into a second (not observed) orthorhombic phase (Cmc2_1). We have carried out a first-principles investigation of these questions, studying the structure of the existing C222_1 and the "virtual" Cmc2_1 phases, and describing the spontaneous E_2g strain in accord with the experimental observations. In addition, we show that the occurrence of C222_1 instead of Cmc2_1 cannot be explained by the E_2u soft modes themselves and, therefore, must be related to their couplings with secondary order parameters. A more detailed analysis proves that the E_2g strains do not account for the experimental preference.
Using first principles density functional calculations, gold monatomic wires are found to exhibit a zigzag shape which remains under tension, becoming linear just before breaking. At room temperature they are found to spin, what explains the extremely long apparent interatomic distances shown by electron microscopy.The zigzag structure is stable if the tension is relieved, the wire holding its chainlike shape even as a free-standing cluster. This unexpected metallic-wire stiffness stems from the transverse quantization in the wire, as shown in a simple free electron model.
We present a new scheme for the construction of highly localized lattice Wannier functions. The approach is based on a heuristic criterion for localization and takes the symmetry constraints into account from the start. We compare the local modes thus obtained with those generated by other schemes and find that they also provide a better description of the relevant vibrational subspace.
A brief review of the SIESTA project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms. Applications of the method to different systems are reviewed, including carbon nanotubes, gold nanostructures, adsorbates on silicon surfaces, and nucleic acids. Also, progress in atomic-orbital bases adapted to linear-scaling methodology is presented.
A nonlinear charged version of the (2+1)-anti de Sitter black hole solution is derived. The source to the Einstein equations is a Born-Infeld electromagnetic field, which in the weak field limit becomes the (2+1)-Maxwell field. The obtained Einstein-Born-Infeld solution for certain range of the parameters (mass, charge, cosmological and Born-Infeld constants) represent a static circularly symmetric black hole. Although the covariant metric components and the electric field do not exhibit a singular behavior at r=0 the curvature invariants are singular at that point.
We present a general class of noncolinear colliding wave solutions of the Einstein-Maxwell equations given in terms of fourth order polynomials, which in turn can be expressed through Jacobi functions depending on generalized advanced and retarded time coordinates. The solutions are characterized by six free parameters. The parameters can be chosen in such a way to avoid the generic focusing singularity
Monte Carlo simulations with an effective Hamiltonian parametrized from first principles are performed to study the dielectric response of BaTiO3 as a function of temperature, with particular emphasis on the behavior of the dielectric constant near the transition from the ferroelectric tetragonal phase to the paraelectric cubic phase.
Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response of BaTiO3 in the ferroelectric tetragonal phase as a function of temperature. The effect of an electric field on the phase behavior is also illustrated by a simulation of the transformation of a rhombohedral domain into a tetragonal one under a strong field.
A first-principles study of the vibrational modes of PbTiO_3 in the ferroelectric tetragonal phase has been performed at all the main symmetry points of the Brillouin zone (BZ). The calculations use the local-density approximation and ultrasoft pseudopotentials with a plane-wave basis, and reproduce well the available experimental information on the modes at the Gamma point, including the LO-TO splittings. The work was motivated in part by a previously reported transition to an orthorhombic phase at low temperatures [(J. Kobayashi, Y. Uesu, and Y. Sakemi, Phys. Rev. B {\bf 28}, 3866 (1983)]. We show that a linear coupling of orthorhombic strain to one of the modes at Gamma plays a role in the discussion of the possibility of this phase transition. However, no mechanical instabilities (soft modes) are found, either at Gamma or at any of the other high-symmetry points of the BZ.
Within the metric structure endowed with two orthogonal space-like Killing vectors a class of solutions of the Einstein-Maxwell-Dilaton field equations is presented. Two explicitly given sub-classes of solutions bear an interpretation as colliding plane waves in the low-energy limit of the heterotic string theory.