Quantum Flexoelectricity in Low Dimensional Systems

Symmetry breaking at surfaces and interfaces and the capability to support large strain gradients in nanoscale systems enable new forms of electromechanical coupling. Here we introduce the concept of quantum flexoelectricity, a phenomenon that is manifested when the mechanical deformation of non-polar quantum systems results in the emergence of net dipole moments and hence linear electromechanical coupling proportional to local curvature. The concept is illustrated in carbon systems, including polyacetylene and nano graphitic ribbons. Using density functional theory calculations for systems made of up to 400 atoms, we determine the flexoelectric coefficients to be of the order of ~ 0.1 e, in agreement with the prediction of linear theory. The implications of quantum flexoelectricity on electromechanical device applications, and physics of carbon based materials are discussed.Comment: 15 pages, 3 figure

Materials Contrast in Piezoresponse Force Microscopy

Piezoresponse Force Microscopy contrast in transversally isotropic material corresponding to the case of c+ - c- domains in tetragonal ferroelectrics is analyzed using Green's function theory by Felten et al. [J. Appl. Phys. 96, 563 (2004)]. A simplified expression for PFM signal as a linear combination of relevant piezoelectric constant are obtained. This analysis is extended to piezoelectric material of arbitrary symmetry with weak elastic and dielectric anisotropies. This result provides a framework for interpretation of PFM signals for systems with unknown or poorly known local elastic and dielectric properties, including nanocrystalline materials, ferroelectric polymers, and biopolymers.Comment: 20 pages, 3 figures, 1 table, accepted to Appl. Phys. Lett. (without Appendices), algebraic errors were correcte

Structural phase transitions in the Ag2Nb4O11 – Na2Nb4O11 solid solution

The phase transitions between various structural modifications of the natrotantite-structured system xAg2Nb4O11 – (1-x)Na2Nb4O11 have been investigated and a phase diagram constructed as a function of temperature and composition. This shows three separate phase transition types: (1) paraelectric – ferroelectric, (2) rhombohedral – monoclinic and (3) a phase transition within the ferroelectric rhombohedral zone between space groups R3c and R3. The parent structure for the entire series has space group R-3c. Compositions with x > 0.75 are rhombohedral at all temperatures whereas compositions with x < 0.75 are all monoclinic at room temperature and below. At x = 0.75, rhombohedral and monoclinic phases coexist with the phase boundary below room temperature being virtually temperature-independent. The ferroelectric phase boundary extends into the monoclinic phase field. No evidence was found for the R3–R3c phase boundary extending into the monoclinic phase field and it is concluded that a triple point is formed

High-pressure neutron study of the morphotropic PZT: phase transitions in a two-phase system

In piezoelectric ceramics the changes in the phase stabilities versus stress and temperature in the vicinity of the phase boundary play a central role. The present study was dedicated to the classical piezoelectric, lead-zirconate-titanate (PZT) ceramic with composition Pb(Zr$_{0.54}$Ti$_{0.46}$)O$_3$ at the Zr-rich side of the morphotropic phase boundary at which both intrinsic and extrinsic contributions to piezoelectricity are significant. The pressure-induced changes in this two-phase (rhombohedral $R3c$+monoclinic $Cm$ at room temperature and $R3c+P4mm$ above 1 GPa pressures) system were studied by high-pressure neutron powder diffraction technique. The experiments show that applying pressure favors the $R3c$ phase, whereas the $Cm$ phase transforms continuously to the $P4mm$, which is favored at elevated temperatures due to the competing entropy term. The $Cm\rightarrow R3c$ phase transformation is discontinuous. The transformation contributes to the extrinsic piezoelectricity. An important contribution to the intrinsic piezoelectricity was revealed: a large displacement of the $B$ cations (Zr and Ti) with respect to the oxygen anions is induced by pressure. Above 600 K a phase transition to a cubic phase took place. Balance between the competing terms dictates the curvature of the phase boundary. After high-pressure experiments the amount of rhombohedral phase was larger than initially, suggesting that on the Zr-rich side of the phase boundary the monoclinic phase is metastable.Comment: 6 figure

Towards a microscopic theory of toroidal moments in bulk periodic crystals

We present a theoretical analysis of magnetic toroidal moments in periodic systems, in the limit in which the toroidal moments are caused by a time and space reversal symmetry breaking arrangement of localized magnetic dipole moments. We summarize the basic definitions for finite systems and address the question of how to generalize these definitions to the bulk periodic case. We define the toroidization as the toroidal moment per unit cell volume, and we show that periodic boundary conditions lead to a multivaluedness of the toroidization, which suggests that only differences in toroidization are meaningful observable quantities. Our analysis bears strong analogy to the modern theory of electric polarization in bulk periodic systems, but we also point out some important differences between the two cases. We then discuss the instructive example of a one-dimensional chain of magnetic moments, and we show how to properly calculate changes of the toroidization for this system. Finally, we evaluate and discuss the toroidization (in the local dipole limit) of four important example materials: BaNiF_4, LiCoPO_4, GaFeO_3, and BiFeO_3.Comment: replaced with final (published) version, which includes some changes in the text to improve the clarity of presentatio

Ipl1/Aurora B kinase coordinates synaptonemal complex disassembly with cell cycle progression and crossover formation in budding yeast meiosis

Several protein kinases collaborate to orchestrate and integrate cellular and chromosomal events at the G2/M transition in both mitotic and meiotic cells. During the G2/M transition in meiosis, this includes the completion of crossover recombination, spindle formation, and synaptonemal complex (SC) breakdown. We identified Ipl1/Aurora B kinase as the main regulator of SC disassembly. Mutants lacking Ipl1 or its kinase activity assemble SCs with normal timing, but fail to dissociate the central element component Zip1, as well as its binding partner, Smt3/SUMO, from chromosomes in a timely fashion. Moreover, lack of Ipl1 activity causes delayed SC disassembly in a cdc5 as well as a CDC5-inducible ndt80 mutant. Crossover levels in the ipl1 mutant are similar to those observed in wild type, indicating that full SC disassembly is not a prerequisite for joint molecule resolution and subsequent crossover formation. Moreover, expression of meiosis I and meiosis II-specific B-type cyclins occur normally in ipl1 mutants, despite delayed formation of anaphase I spindles. These observations suggest that Ipl1 coordinates changes to meiotic chromosome structure with resolution of crossovers and cell cycle progression at the end of meiotic prophase

Contrast Mechanisms for the Detection of Ferroelectric Domains with Scanning Force Microscopy

We present a full analysis of the contrast mechanisms for the detection of ferroelectric domains on all faces of bulk single crystals using scanning force microscopy exemplified on hexagonally poled lithium niobate. The domain contrast can be attributed to three different mechanisms: i) the thickness change of the sample due to an out-of-plane piezoelectric response (standard piezoresponse force microscopy), ii) the lateral displacement of the sample surface due to an in-plane piezoresponse, and iii) the electrostatic tip-sample interaction at the domain boundaries caused by surface charges on the crystallographic y- and z-faces. A careful analysis of the movement of the cantilever with respect to its orientation relative to the crystallographic axes of the sample allows a clear attribution of the observed domain contrast to the driving forces respectively.Comment: 8 pages, 8 figure

Antarctica on foot: the energy expended to walk, ski and man-haul

Polar exploration often involves travelling on foot and thus is physically intensive, with long-term excursions typically resulting in weight loss. Few studies have investigated the energy expended under such circumstances. Here, we present a range of prediction equations for estimating metabolic rate from heart rate or accelerometry data for specific activities including skiing and man-hauling which can be applied to either short- or long-term excursions. We also use some of these equations to estimate the energy expended undertaking various activities by a team of explorers while attempting to traverse the Antarctic continent during the austral winter of 2013 (as part of the White Mars Project during The Coldest Journey). Calibration equations based on either accelerometry data (from which overall dynamic body acceleration, ODBA, is derived) or heart rate showed good relationships with rate of oxygen consumption, particularly when person height was included. Periods of skiing and man- hauling on The Coldest Journey were estimated to be more energetically demanding (30.0 and 31.1 kJ min−1, respectively) than walking (24.9 kJ min−1), or other outdoor work (21.9 kJ min−1). Estimates of energy expenditure during The Coldest Journey were similar to measures obtained in previous, comparative scenarios. We hope that future expeditions to Antarctica will use these prediction equations to further our understanding of the energy costs of exploring Antarctica and the nutritional requirements needed to guard against emaciation