A combinatorial approach to metamaterials discovery

Some fifteen years ago a paper reporting a combinatorial approach to materials discoveries revolutionized materials research and other disciplines such as chemistry and pharmacology [1]. Here we report on how a combinatorial approach combined with advanced nanofabrication helps to discover photonic metamaterials optimized for prescribed functionalities

Absence of the cbb3 terminal oxidase reveals an active oxygen-dependent cyclase involved in bacteriochlorophyll biosynthesis in Rhodobacter sphaeroides.

The characteristic green color associated with chlorophyll pigments results from the formation of an isocyclic fifth ring on the tetrapyrrole macrocyle during the biosynthesis of these important molecules. This reaction is catalyzed by two unrelated cyclase enzymes employing different chemistries. Oxygenic phototrophs such as plants and cyanobacteria utilize an oxygen-dependent enzyme, the major component of which is a diiron protein named AcsF, while BchE, an oxygen-sensitive [4Fe-4S] cluster protein, dominates in phototrophs inhabiting anoxic environments, such as the purple phototrophic bacterium Rhodobacter sphaeroides We identify a potential acsF in this organism and assay for activity of the encoded protein in a strain lacking bchE under various aeration regimes. Initially, cells lacking bchE did not demonstrate AcsF activity under any condition tested. However, on removal of a gene encoding a subunit of the cbb3-type respiratory terminal oxidase, cells cultured under regimes ranging from oxic to microoxic exhibited cyclase activity, confirming the activity of the oxygen-dependent enzyme in this model organism. Potential reasons for the utilization of an oxygen-dependent enzyme in anoxygenic phototrophs are discussed. IMPORTANCE: The formation of the E ring of (bacterio)chlorophyll pigments is the least well-characterized step in their biosynthesis, remaining enigmatic for over 60 years. Two unrelated enzymes catalyze this cyclization step; O2-dependent and O2-independent forms dominate in oxygenic and anoxygenic phototrophs, respectively. We uncover the activity of an O2-dependent enzyme in the anoxygenic purple phototrophic bacterium Rhodobacter sphaeroides, initially by inactivation of the high affinity terminal respiratory oxidase, cytochrome cbb3 We propose that the O2-dependent form allows for the biosynthesis of a low level of bacteriochlorophyll under oxic conditions, so that a rapid initiation of photosynthetic processes is possible for this bacterium upon a reduction of oxygen tension

Study of intercalation and deintercalation of Na_xCoO_2 yH_2O single crystals

Single crystals of NaxCoO2 with beta-phase (x=0.55, 0.60 and 0.65), alpha'-phase (x=0.75) and alpha-phase (x=0.9, 1.0) have been grown by the floating zone technique. The Na-extraction and hydration were carried out for the alpha'-sample to get superconducting phase of NaxCoO2.yH2O (x~0.3, y~1.3). Hydrated single crystals exhibit cracked layers perpendicular to the c-axis due to a large expansion when the water is inserted into the structure. A study of intercalation/deintercalation was performed to determine the stability of the hydrated phase and effects of hydration on the structure of the compound. X-ray diffraction and Thermogravimetric experiments are used to monitor the process of water molecules accommodated in and removed from the crystal lattice. The initial intercalation process takes place with two-water molecules corresponding to y=0.6) inserted in a formula unit, followed by a group of four (y=1.3) to form a cluster of Na(H2O)4. Thermogravimetric analysis suggests that the deintercalation occurs with the removal of the water molecules one by one from the hydrated cluster at elevated temperatures of approximately 50, 100, 200 and 300 C, respectively. Our investigations reveal that the hydration process is dynamic and that water molecule inter- and deintercalation follow different reaction paths in an irreversible way.Comment: 15 pages, 6 figures, figures with higher resolution by email request from the corresponding autho

Fast spin dynamics algorithms for classical spin systems

We have proposed new algorithms for the numerical integration of the equations of motion for classical spin systems. In close analogy to symplectic integrators for Hamiltonian equations of motion used in Molecular Dynamics these algorithms are based on the Suzuki-Trotter decomposition of exponential operators and unlike more commonly used algorithms exactly conserve spin length and, in special cases, energy. Using higher order decompositions we investigate integration schemes of up to fourth order and compare them to a well established fourth order predictor-corrector method. We demonstrate that these methods can be used with much larger time steps than the predictor-corrector method and thus may lead to a substantial speedup of computer simulations of the dynamical behavior of magnetic materials.Comment: 9 pages RevTeX with 8 figure

Temperature dependence of Vortex Charges in High Temperature Superconductors

Using a model Hamiltonian with d-wave superconductivity and competing antiferromagnetic (AF) interactions, the temperature (T) dependence of the vortex charge in high T_c superconductors is investigated by numerically solving the Bogoliubov-de Gennes equations. The strength of the induced AF order inside the vortex core is T dependent. The vortex charge could be negative when the AF order with sufficient strength is present at low temperatures. At higher temperatures, the AF order may be completely suppressed and the vortex charge becomes positive. A first order like transition in the T dependent vortex charge is seen near the critical temperature T_{AF}. For underdoped sample, the spatial profiles of the induced spin-density wave and charge-density wave orders could have stripe like structures at T < T_s, and change to two-dimensional isotropic ones at T > T_s. As a result, a vortex charge discontinuity occurs at T_s.Comment: 5 pages, 5 figure

Dynamic critical behavior of the classical anisotropic BCC Heisenberg antiferromagnet

Using a recently implemented integration method [Krech et. al.] based on an iterative second-order Suzuki-Trotter decomposition scheme, we have performed spin dynamics simulations to study the critical dynamics of the BCC Heisenberg antiferromagnet with uniaxial anisotropy. This technique allowed us to probe the narrow asymptotic critical region of the model and estimate the dynamic critical exponent $z=2.25 \pm 0.08$. Comparisons with competing theories and experimental results are presented.Comment: Latex, 3 pages, 5 figure

Quantum information processing in bosonic lattices

We consider a class of models of self-interacting bosons hopping on a lattice. We show that properly tailored space-temporal coherent control of the single-body coupling parameters allows for universal quantum computation in a given sector of the global Fock space. This general strategy for encoded universality in bosonic systems has in principle several candidates for physical implementation.Comment: 4 pages, 2 figs, RevTeX 4; updated to the published versio

Bi-partite mode entanglement of bosonic condensates on tunneling graph

We study a set of $L$ spatial bosonic modes localized on a graph $\Gamma.$ The particles are allowed to tunnel from vertex to vertex by hopping along the edges of $\Gamma.$ We analyze how, in the exact many-body eigenstates of the system i.e., Bose-Einstein condensates over single-particle eigenfunctions, the bi-partite quantum entanglement of a lattice vertex with respect to the rest of the graph depends on the topology of $\Gamma.$Comment: 3 Pages LaTeX, 2 Figures include

Spiral phase and phase separation of the double exchange model in the large-S limit

The phase diagram of the double exchange model is studied in the large-S limit at zero temperature in two and three dimensions. We find that the spiral state has lower energy than the canted antiferromagnetic state in the region between the antiferromagnetic phase and the ferromagnetic phase. At small doping, the spiral phase is unstable against phase separation due to its negative compressibility. When the Hund coupling is small, the system separates into spiral regions and antiferromagnetic regions. When the Hund coupling is large, the spiral phase disappears completely and the system separates into ferromagnetic regions and antiferromagnetic regions.Comment: 7 pages, 3 postscript figures. To be published in Phys. Rev.

Toroidal circular dichroism

We demonstrate that the induced toroidal dipole, represented by currents flowing on the surface of a torus, makes a distinct and indispensable contribution to circular dichroism. We show that toroidal circular dichroism supplements the well-known mechanism involving electric dipole and magnetic dipole transitions. We illustrate this with rigorous analysis of the experimentally measured, polarization-sensitive transmission spectra of an artificial metamaterial, constructed from elements of toroidal symmetry. We argue that toroidal circular dichroism shall be found in large biomolecules with elements of toroidal symmetry and should be taken into account in the interpretation of circular dichroism spectra of organics