Combined computational and experimental investigation of the La 2 CuO 4– x S x (0 ≤ x ≤ 4) quaternary system
Abstract not provided
Engineering topics
Publications and source records attributed to Yee, Chuck-Hou.
Abstract not provided
A family of topological semimetallic phases where twofold degenerate gapless points form linked rings is introduced here. We refer to this phase as Weyl-link semimetals. A concrete two-band model with two linked nodal lines is constructed. We demonstrate that the Chern-Simons 3-form depends on the linking number of rings in a generic two-band model. In addition, we show the emergence of zero-energy modes in the Landau level spectrum can reveal the location of nodal lines, providing a method of probing their linking number.
Motivated by the direct observation of electronic phase separation in first-order Mott transitions, we model the interface between thermodynamically coexisting metals and Mott insulators. In this work, we show how to model the required slab geometry and extract the electronic spectra. We construct an effective Landau free energy and compute the variation of its parameters across the phase diagram. Finally, using a linear mixture of the density and double occupancy, we identify a natural Ising order parameter which unifies the treatment of the bandwidth and filling controlled Mott transitions.
We describe a framework for designing novel materials, combining modern first-principles electronic-structure tools, materials databases, and evolutionary algorithms capable of exploring large configurational spaces. Guided by the chemical principles introduced by Antipov et al., for the design and synthesis of the Hg-based high-temperature superconductors, we apply our framework to screen 333 proposed compositions to design a new layered copper oxysulfide, Hg(CaS)2CuO2. We evaluate the prospects of superconductivity in this oxysulfide using theories based on charge-transfer energies, orbital distillation and uniaxial strain.