Tin selenide has attracted much research interest due to its unprecedentedly high thermoelectric figure of merit (ZT). For real applications, it is desirable to increase the ZT value in the lower-temperature range, as the peak ZT value currently exists near the melting point. It is shown in this paper that the structural phase transition plays an important role in boosting the ZT value of SnSe ...

The crystal structures of phase I and phase II of dimethyl sulfate, (CH3O)2SO2, have been determined using complementary high-resolution neutron powder and single-crystal X-ray diffraction techniques. Below its melting point of 241 K dimethyl sulfate crystallizes in an orthorhombic structure (I) in the space group Fdd2. On cooling below approximately 175 K the crystal transforms to a monoclinic...

We study exact renormalization group equations in the framework of the effective average action. We present analytical solutions for the scale dependence of the potential in a variety of models. These solutions display a rich spectrum of physical behaviour such as fixed points governing the universal behaviour near second order phase transitions, critical exponents, first order transitions (som...

We investigate nanosecond photoluminescence processes in colloidal core/shell CdSe/ZnS nanoparticles dissolved in water and found strong sensitivity of luminescence to the solvent state. Several pronounced changes have been observed in the narrow temperature interval near the water melting point. First of all, the luminescence intensity substantially (approximately 50%) increases near the trans...

A noise-induced phase transition to excitability is reported in oscillatory media with FitzHugh-Nagumo dynamics. This transition takes place via a noise-induced stabilization of a deterministically unstable fixed point of the local dynamics, while the overall phase-space structure of the system is maintained. Spatial coupling is required to prevent oscillations through suppression of fluctuatio...

We present a numerical study of two-dimensional random-bond Potts ferromagnets. The model is studied both below and above the critical value Qc=4, which discriminates between second- and first-order transitions in the pure system. Two geometries are considered, namely cylinders and square-shaped systems, and the critical behavior is investigated through conformal invariance techniques that were...

The effect of quenched disorder on nonequilibrium phase transitions in the directed percolation universality class is studied by a strong disorder renormalization group approach and by density matrix renormalization group calculations. We show that for sufficiently strong disorder the critical behavior is controlled by a strong disorder fixed point and in one dimension the critical exponents ar...

We study the dynamical response of a two-dimensional Ising model subject to a square-wave oscillating external field. In contrast to earlier studies, the system evolves under a so-called soft Glauber dynamic [Rikvold and Kolesik, J. Phys. A 35, L117 (2002)], for which both nucleation and interface propagation are slower and the interfaces smoother than for the standard Glauber dynamic. We choos...

I describe an algorithm for simultaneous fixed-point optimization (mixing) of the density and atomic positions in Density Functional Theory calculations which is approximately twice as fast as conventional methods, is robust, and requires minimal to no user intervention or input. The underlying numerical algorithm differs from ones previously proposed in a number of aspects and is an autoadapti...

Block junctions are the topological constraints of connecting two homopolymers of different species to form diblock copolymers, which make the phase transition behaviors of diblock copolymers deviate from that of parallel polymer blends. We performed dynamic Monte Carlo simulations of these two parallel polymeric systems to compare their behaviors in the interplay of phase transitions. The resu...