Evidence for hard and soft substructures in thermoelectric SnSe

SnSe is a topical thermoelectric material with a low thermal conductivity which is linked to its unique crystal structure. We use low-temperature heat capacity measurements to demonstrate the presence of two characteristic vibrational energy scales in SnSe with Debye temperatures thetaD1 = 345(9) K and thetaD2 = 154(2) K. These hard and soft substructures are quantitatively linked to the strong and weak Sn-Se bonds in the crystal structure. The heat capacity model predicts the temperature evolution of the unit cell volume, confirming that this two-substructure model captures the basic thermal properties. Comparison with phonon calculations reveals that the soft substructure is associated with the low energy phonon modes that are responsible for the thermal transport. This suggests that searching for materials containing highly divergent bond distances should be a fruitful route for discovering low thermal conductivity materials.Comment: Accepted by Applied Physics Letter

Domain Architectures as an Instrument to Refine Enterprise Architecture

Enterprise architecture is concerned with the fundamental organization of the operating environment of an enterprise. The enterprise architecture is used to plan and control the construction of the systems that populate the operating environment. As the scope covered can be considerable in large enterprises, introducing domain architectures to partition and detail the enterprise architecture is a plausible approach. We formulate prescriptive criteria that consistent domain architectures must meet. By integrating the creation of domain architectures into an extended strategic alignment model we develop a theory that accounts for both the creation, scope-setting and detailing. Based on the creation viewpoint we derive a multi-level classification taxonomy. The primary differentiator is that between domains that are created from business usage viewpoints and those that are created from solution construction viewpoints. Four cases of domain architectures from actual practice are described that illustrate the variety encountered. Domain classifications in all cases conform to the theoretical model. The criteria, the developed theory and the cases have both academic relevance as well as significance for practitioners

Theoretical investigation of magnetic order in ReOFeAs, Re = Ce, Pr

Density functional theory (DFT) calculations are carried out on ReOFeAs, Re = Ce, Pr, the parent compounds of the high-T$_c$ superconductors ReO$_{1-x}$F$_{x}$FeAs, in order to determine the magnetic order of the ground state. It is found that the magnetic moments on the Fe sites adopt a collinear antiferromagnetic order, similar to the case of LaOFeAs. Within the generalized gradient approximation along with Coulomb onsite repulsion (GGA+U), we show that the Re magnetic moments also adopt an antiferromagnetic order for which, within the ReO layer, same spin Re sites lie along a zigzag line perpendicular to the Fe spin stripes. While within GGA the Re 4f band crosses the Fermi level, upon inclusion of onsite Coulomb interaction the 4f band splits and moves away from the Fermi level, making ReOFeAs a Mott insulator.Comment: 5 pages, 4 figure

Equivariant differential characters and symplectic reduction

We describe equivariant differential characters (classifying equivariant circle bundles with connections), their prequantization, and reduction

Ferromagnetism below 10 K in Mn doped BiTe

Ferromagnetism is observed below 10 K in [Bi0.75Te0.125Mn0.125]Te. This material has the BiTe structure, which is made from the stacking of two Te-Bi-Te-Bi-Te blocks and one Bi-Bi block per unit cell. Crystal structure analysis shows that Mn is localized in the Bi2 blocks, and is accompanied by an equal amount of TeBi anti-site occupancy in the Bi2Te3 blocks. These TeBi anti-site defects greatly enhance the Mn solubility. This is demonstrated by comparison of the [Bi1-xMnx]Te and [Bi1-2xTexMnx]Te series; in the former, the solubility is limited to x = 0.067, while the latter has xmax = 0.125. The magnetism in [Bi1-xMnx]Te changes little with x, while that for [Bi1-2xTexMnx]Te shows a clear variation, leading to ferromagnetism for x > 0.067. Magnetic hysteresis and the anomalous Hall Effect are observed for the ferromagnetic samples.Comment: Accepted for publication in Phys. Rev.