Influence of rotational instability on the polarization structure of SrTiO3

The k-space polarization structure and its strain response in SrTiO3 with rotational instability are studied using a combination of first-principles density functional calculations, modern theory of polarization, and analytic Wannier-function formulation. (1) As one outcome of this study, we rigorously prove-both numerically and analytically-that folding effect exists in polarization structure. (2) After eliminating the folding effect, we find that the polarization structure for SrTiO3 with rotational instability is still considerably different from that for non-rotational SrTiO3, revealing that polarization structure is sensitive to structure distortion of oxygen-octahedra rotation and promises to be an effective tool for studying material properties. (3) Furthermore, from polarization structure we determine the microscopic Wannier-function interactions in SrTiO3. These interactions are found to vary significantly with and without oxygen-octahedra rotation.Comment: 25 pages, 7 figure

Public-private partnerships in China's urban water sector

During the past decades, the traditional state monopoly in urban water management has been debated heavily, resulting in different forms and degrees of private sector involvement across the globe. Since the 1990s, China has also started experiments with new modes of urban water service management and governance in which the private sector is involved. It is premature to conclude whether the various forms of private sector involvement will successfully overcome the major problems (capital shortage, inefficient operation, and service quality) in China¿s water sector. But at the same time, private sector involvement in water provisioning and waste water treatments seems to have become mainstream in transitional China

Local Spin Susceptibility of the S=1/2 Kagome Lattice in ZnCu3(OD)6Cl2

We report single-crystal 2-D NMR investigation of the nearly ideal spin S=1/2 kagome lattice ZnCu3(OD)6Cl2. We successfully identify 2-D NMR signals originating from the nearest-neighbors of Cu2+ defects occupying Zn sites. From the 2-D Knight shift measurements, we demonstrate that weakly interacting Cu2+ spins at these defects cause the large Curie-Weiss enhancement toward T=0 commonly observed in the bulk susceptibility data. We estimate the intrinsic spin susceptibility of the kagome planes by subtracting defect contributions, and explore several scenarios.Comment: 4 figures; published in PR-B Rapid Communication

Observation of a (2X8) surface reconstruction on Si_(1-x)Ge_x alloys grown on (100) Si by molecular beam epitaxy

We present evidence supporting the formation of a new, (2×8) surface reconstruction on Si_(1−x)Ge_x alloys grown on (100) Si substrates by molecular‐beam epitaxy. Surfaces of Si_(1−x)Ge_x alloys were studied using reflection high‐energy electron diffraction (RHEED) and low‐energy electron diffraction (LEED) techniques. RHEED patterns from samples with Ge concentrations, x, falling within the range 0.10–0.30 and grown at temperatures between 350 and 550 °C, exhibit n/8 fractional‐order diffraction streaks in addition to the normal (2×1) pattern seen on (100) Si. The presence of fractional‐order diffracted beams is indicative of an eight‐fold‐periodic modulation in electron scattering factor across the alloy surface. LEED patterns from surfaces of samples grown under similar conditions are entirely consistent with these results. In addition, the LEED patterns support the conclusion that the modulation is occurring in the direction of the dimer chains of a (2×1) reconstruction. We have examined the thermal stability of the (2×8) reconstruction and have found that it reverts to (2×1) after annealing to 700 °C and reappears after the sample temperature is allowed to cool below 600 °C. Such behavior suggests that the reconstruction is a stable, ordered phase for which the pair‐correlation function of surface Ge atoms exhibits an eightfold periodicity in the "1" direction of a Si‐like (2×1) reconstruction. We also present a simulation in the kinematic approximation, confirming the validity of our interpretation of these finding

Temperature 1 Self-Assembly: Deterministic Assembly in 3D and Probabilistic Assembly in 2D

We investigate the power of the Wang tile self-assembly model at temperature 1, a threshold value that permits attachment between any two tiles that share even a single bond. When restricted to deterministic assembly in the plane, no temperature 1 assembly system has been shown to build a shape with a tile complexity smaller than the diameter of the shape. In contrast, we show that temperature 1 self-assembly in 3 dimensions, even when growth is restricted to at most 1 step into the third dimension, is capable of simulating a large class of temperature 2 systems, in turn permitting the simulation of arbitrary Turing machines and the assembly of $n\times n$ squares in near optimal $O(\log n)$ tile complexity. Further, we consider temperature 1 probabilistic assembly in 2D, and show that with a logarithmic scale up of tile complexity and shape scale, the same general class of temperature $\tau=2$ systems can be simulated with high probability, yielding Turing machine simulation and $O(\log^2 n)$ assembly of $n\times n$ squares with high probability. Our results show a sharp contrast in achievable tile complexity at temperature 1 if either growth into the third dimension or a small probability of error are permitted. Motivated by applications in nanotechnology and molecular computing, and the plausibility of implementing 3 dimensional self-assembly systems, our techniques may provide the needed power of temperature 2 systems, while at the same time avoiding the experimental challenges faced by those systems