Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory

We carried out Heyd-Scuseria-Ernzerhof hybrid density functional theory plane wave supercell calculations in wurtzite aluminum nitride in order to characterize the geometry, formation energies, transition levels and hyperfine tensors of the nitrogen split interstitial defect. The calculated hyperfine tensors may provide useful fingerprint of this defect for electron paramagnetic resonance measurement.Comment: 5 pages, 3 figure

Strong disorder renormalization group study of aperiodic quantum Ising chains

We employ an adaptation of a strong-disorder renormalization-group technique in order to analyze the ferro-paramagnetic quantum phase transition of Ising chains with aperiodic but deterministic couplings under the action of a transverse field. In the presence of marginal or relevant geometric fluctuations induced by aperiodicity, for which the critical behavior is expected to depart from the Onsager universality class, we derive analytical and asymptotically exact expressions for various critical exponents (including the correlation-length and the magnetization exponents, which are not easily obtainable by other methods), and shed light onto the nature of the ground state structures in the neighborhood of the critical point. The main results obtained by this approach are confirmed by finite-size scaling analyses of numerical calculations based on the free-fermion method

Entanglement entropy of aperiodic quantum spin chains

We study the entanglement entropy of blocks of contiguous spins in non-periodic (quasi-periodic or more generally aperiodic) critical Heisenberg, XX and quantum Ising spin chains, e.g. in Fibonacci chains. For marginal and relevant aperiodic modulations, the entanglement entropy is found to be a logarithmic function of the block size with log-periodic oscillations. The effective central charge, c_eff, defined through the constant in front of the logarithm may depend on the ratio of couplings and can even exceed the corresponding value in the homogeneous system. In the strong modulation limit, the ground state is constructed by a renormalization group method and the limiting value of c_eff is exactly calculated. Keeping the ratio of the block size and the system size constant, the entanglement entropy exhibits a scaling property, however, the corresponding scaling function may be nonanalytic.Comment: 6 pages, 2 figure

Phase-Field Modeling of Polycrystalline Solidification: From Needle Crystals to Spherulites—A Review

Advances in the orientation-field-based phase-field (PF) models made in the past are reviewed. The models applied incorporate homogeneous and heterogeneous nucleation of growth centers and several mechanisms to form new grains at the perimeter of growing crystals, a phenomenon termed growth front nucleation. Examples for PF modeling of such complex polycrystalline structures are shown as impinging symmetric dendrites, polycrystalline growth forms (ranging from disordered dendrites to spherulitic patterns), and various eutectic structures, including spiraling two-phase dendrites. Simulations exploring possible control of solidification patterns in thin films via external fields, confined geometry, particle additives, scratching/piercing the films, etc. are also displayed. Advantages, problems, and possible solutions associated with quantitative PF simulations are discussed briefly