Reciprocal salt flux growth of LiFePO4 single crystals with controlled defect concentrations

Improved methods for the flux growth of single crystals of the important battery material LiFePO4 have been developed, allowing the facile preparation of single crystals up to 1 cm across with well-developed facets at relatively low temperatures. The structural characterization of these samples by both powder X-ray diffraction and single crystal diffraction (X-ray and neutron) indicates that the samples are typically stoichiometric with a very low concentration of Fe defects on the Li site, though crystals with larger concentrations of defects can be specifically grown using Fe-rich fluxes. These defects occur through the formation of a Fe-rich (Li1-2xFe x)FePO4 partial solid solution, in contrast to the antisite defects more commonly discussed in the literature which would preserve the ideal LiFePO4 stoichiometry. The LiFePO4 defects are shown to be sarcopside-like (2 Li+ → Fe2+ + vacancy) based on compositions refined from single crystal diffraction data, the observed dependence of unit cell parameters on defect concentration, and their observed phase behavior (defects only appear in growths from fluxes which are Fe-rich relative to stoichiometric LiFePO4). The distribution of defects has been studied by aberration corrected scanning transmission electron microscopy and was found to be highly inhomogenous, suggesting that defect-containing crystals may consist of endotaxial intergrowths of olivine LiFePO4 and sarcopside Fe3(PO4)2 in a manner that minimizes the detrimental influence of FeLi defects on the rate of Li-ion transport within crystallites. © 2013 American Chemical Society

Monte Carlo Simulation of the Short-time Behaviour of the Dynamic XY Model

Dynamic relaxation of the XY model quenched from a high temperature state to the critical temperature or below is investigated with Monte Carlo methods. When a non-zero initial magnetization is given, in the short-time regime of the dynamic evolution the critical initial increase of the magnetization is observed. The dynamic exponent $\theta$ is directly determined. The results show that the exponent $\theta$ varies with respect to the temperature. Furthermore, it is demonstrated that this initial increase of the magnetization is universal, i.e. independent of the microscopic details of the initial configurations and the algorithms.Comment: 14 pages with 5 figures in postscrip

Temperature dependence of the electronic structure of semiconductors and insulators

The renormalization of electronic eigenenergies due to electron-phonon coupling is sizable in many materials with light atoms. This effect, often neglected in ab-initio calculations, can be computed using the perturbation-based Allen-Heine-Cardona theory in the adiabatic or non-adiabatic harmonic approximation. After a short description of the numerous recent progresses in this field, and a brief overview of the theory, we focus on the issue of phonon wavevector sampling convergence, until now poorly understood. Indeed, the renormalization is obtained numerically through a q-point sampling inside the BZ. For q-points close to G, we show that a divergence due to non-zero Born effective charge appears in the electron-phonon matrix elements, leading to a divergence of the integral over the BZ for band extrema. Although it should vanish for non-polar materials, unphysical residual Born effective charges are usually present in ab-initio calculations. Here, we propose a solution that improves the coupled q-point convergence dramatically. For polar materials, the problem is more severe: the divergence of the integral does not disappear in the adiabatic harmonic approximation, but only in the non-adiabatic harmonic approximation. In all cases, we study in detail the convergence behavior of the renormalization as the q-point sampling goes to infinity and the imaginary broadening parameter goes to zero. This allows extrapolation, thus enabling a systematic way to converge the renormalization for both polar and non-polar materials. Finally, the adiabatic and non-adiabatic theory, with corrections for the divergence problem, are applied to the study of five semiconductors and insulators: a-AlN, b-AlN, BN, diamond and silicon. For these five materials, we present the zero-point renormalization, temperature dependence, phonon-induced lifetime broadening and the renormalized electronic bandstructure.Comment: 27 pages and 26 figure

Loop Corrections to Cosmological Perturbations in Multi-field Inflationary Models

We investigate one-loop quantum corrections to the power spectrum of adiabatic perturbation from entropy modes/adiabatic mode cross-interactions in multiple DBI inflationary models. We find that due to the non-canonical kinetic term in DBI models, the loop corrections are enhanced by slow-varying parameter $\epsilon$ and small sound speed $c_s$. Thus, in general the loop-corrections in multi-DBI models can be large. Moreover, we find that the loop-corrections from adiabatic/entropy cross-interaction vertices are IR finite.Comment: 21 pages, 7 figures; v2, typos corrected, ref added; v3 typos corrected, version for publishing in jca

Integrated impedance bridge for absolute capacitance measurements at cryogenic temperatures and finite magnetic fields

We developed an impedance bridge that operates at cryogenic temperatures (down to 60 mK) and in perpendicular magnetic fields up to at least 12 T. This is achieved by mounting a GaAs HEMT amplifier perpendicular to a printed circuit board containing the device under test and thereby parallel to the magnetic field. The measured amplitude and phase of the output signal allows for the separation of the total impedance into an absolute capacitance and a resistance. Through a detailed noise characterization, we find that the best resolution is obtained when operating the HEMT amplifier at the highest gain. We obtained a resolution in the absolute capacitance of 6.4~aF$/\sqrt{\textrm{Hz}}$ at 77 K on a comb-drive actuator, while maintaining a small excitation amplitude of 15~$k_\text{B} T/e$. We show the magnetic field functionality of our impedance bridge by measuring the quantum Hall plateaus of a top-gated hBN/graphene/hBN heterostructure at 60~mK with a probe signal of 12.8~$k_\text{B} T/e$.Comment: 7 pages, 5 figure

Collision broadening of rho meson in a dropping mass scenario

Vector mesons containing light quarks are thought to have their masses reduced in dense nuclear matter, sacrificing some of their energy to the scalar field which becomes appreciable at finite baryon density. Model calculations find masses which fall by a couple tens of percents in normal nuclear matter, and by several hundred MeV in dense matter. We estimate the collision rate for rho mesons in such a scenario and at finite temperature. Compared to its free-mass value, the collision rate changes by nearly a factor of two both above and below, depending on the density. This collision broadening effect could be important for estimates of low-mass dilepton production in heavy-ion collisions.Comment: 8 pages LaTeX, 2 PostScript figure

Integer quantum Hall transition in the presence of a long-range-correlated quenched disorder

We theoretically study the effect of long-ranged inhomogeneities on the critical properties of the integer quantum Hall transition. For this purpose we employ the real-space renormalization-group (RG) approach to the network model of the transition. We start by testing the accuracy of the RG approach in the absence of inhomogeneities, and infer the correlation length exponent nu=2.39 from a broad conductance distribution. We then incorporate macroscopic inhomogeneities into the RG procedure. Inhomogeneities are modeled by a smooth random potential with a correlator which falls off with distance as a power law, r^{-alpha}. Similar to the classical percolation, we observe an enhancement of nu with decreasing alpha. Although the attainable system sizes are large, they do not allow one to unambiguously identify a cusp in the nu(alpha) dependence at alpha_c=2/nu, as might be expected from the extended Harris criterion. We argue that the fundamental obstacle for the numerical detection of a cusp in the quantum percolation is the implicit randomness in the Aharonov-Bohm phases of the wave functions. This randomness emulates the presence of a short-range disorder alongside the smooth potential.Comment: 10 pages including 6 figures, revised version as accepted for publication in PR

Giant Gravitons in type IIA PP-wave Background

We examine giant gravitons with a worldvolume magnetic flux $q$ in type IIA pp-wave background and find that they can move away from the origin along $x^4$ direction in target space satisfying $Rx^4=-q$. This nontrivial relation can be regarded as a complementary relation of the giant graviton on IIA pp-wave and is shown to be connected to the spacetime uncertainty principle. The giant graviton is also investigated in a system of N D0-branes as a fuzzy sphere solution. It is observed that $x^4$ enters into the fuzzy algebra as a deformation parameter. Such a background dependent Myers effect guarantees that we again get the crucial relation of our giant graviton. In the paper, we also find a BIon configuration on the giant graviton in this background.Comment: 10 pages, no figure, content added, typo corrected, reference adde

Long-lived photoexcited states in polydiacetylenes with different molecular and supramolecular organization

With the aim of determining the importance of the molecular and supramolecular organization on the excited states of polydiacetylenes, we have studied the photoinduced absorption spectra of the red form of poly[1,6-bis(3,6-didodecyl-N-carbazolyl)-2,4-hexadiyne] (polyDCHD-S) and the results compared with those of the blue form of the same polymer. An interpretation of the data is given in terms of both the conjugation length and the interbackbone separation also in relation to the photoinduced absorption spectra of both blue and red forms of poly[1,6-bis(N-carbazolyl)-2,4-hexadiyne] (polyDCHD), which does not carry the alkyl substituents on the carbazolyl side groups. Information on the above properties is derived from the analysis of the absorption and Raman spectra of this class of polydiacetylenes

Optimal strategies for continuous gravitational wave detection in pulsar timing arrays

Supermassive black hole binaries (SMBHBs) are expected to emit continuous gravitational waves in the pulsar timing array (PTA) frequency band ($10^{-9}$--$10^{-7}$ Hz). The development of data analysis techniques aimed at efficient detection and characterization of these signals is critical to the gravitational wave detection effort. In this paper we leverage methods developed for LIGO continuous wave gravitational searches, and explore the use of the $\mathcal{F}$-statistic for such searches in pulsar timing data. Babak & Sesana 2012 have already used this approach in the context of PTAs to show that one can resolve multiple SMBHB sources in the sky. Our work improves on several aspects of prior continuous wave search methods developed for PTA data analysis. The algorithm is implemented fully in the time domain, which naturally deals with the irregular sampling typical of PTA data and avoids spectral leakage problems associated with frequency domain methods. We take into account the fitting of the timing model, and have generalized our approach to deal with both correlated and uncorrelated colored noise sources. We also develop an incoherent detection statistic that maximizes over all pulsar dependent contributions to the likelihood. To test the effectiveness and sensitivity of our detection statistics, we perform a number of monte-carlo simulations. We produce sensitivity curves for PTAs of various configurations, and outline an implementation of a fully functional data analysis pipeline. Finally, we present a derivation of the likelihood maximized over the gravitational wave phases at the pulsar locations, which results in a vast reduction of the search parameter space.Comment: 11 pages, 5 figure