Microscopic mechanism of unusual lattice thermal transport in TlInTe$_2$

磁场驱动的金属-绝缘体转变在菱形铋和砷晶体中

Field driven Metal-Insulator transition in rhombohedral Bismuth and Arsenic crystals

研究磁场驱动的金属-绝缘体转变，发现铋在低温下表现出高场下的重新进入绝缘体转变，而砷则表现出常规单重转变，通过肖克利-德哈斯振荡和巨磁阻现象验证。

Spontaneous Layer-Pseudospin Domain Walls in Bilayer Graphene

Bilayer graphene is susceptible to a family of unusual broken symmetry states with spin and valley dependent layer polarization. We report on a microscopic study of the domain walls in these systems, demonstrating that they have interesting microscopic structures related to order-induced topological characters. We use our results to estimate Ginzburg-Landau model parameters and transition temperatures for the ordered states of bilayer graphene.

Microscopic Mechanisms of Glass-Like Lattice Thermal Transport in Cubic Cu$_{12}$Sb$_{4}$S$_{13}$ Tetrahedrites

Materials based on cubic tetrahedrites (Cu$_{12}$Sb$_{4}$S$_{13}$) are useful thermoelectrics with unusual thermal and electrical transport properties, such as very low and nearly temperature-independent lattice thermal conductivity ($κ_{L}$). We explain the microscopic origin of the glass-like $κ_{L}$ in Cu$_{12}$Sb$_{4}$S$_{13}$ by explicitly treating anharmonicity up to quartic terms for both phonon energies and phonon scattering rates. We show that the strongly unstable phonon modes associated with trigonally coordinated Cu atoms are anharmonically stabilized above approximately $100$ K an…

Cooperative response of Pb(ZrTi)O$_3$ nanoparticles to curled electric fields

Using first-principles based effective Hamiltonian and finite temperature Monte Carlo simulations we investigate cooperative responses, as well as microscopic mechanism for vortex switching, in zero-dimensional Pb(Zr$_{0.5}$Ti$_{0.5}$)O$_3$ nanoparticles under curled electric fields. We find that the generally accepted domain coexistence mechanism is not valid for toroid switching. Instead dipoles are shown to display unusual collective behaviors by forming a new vortex with perpendicular (but not opposite) toroid moment. The strong correlation between the new and original vortices is revealed…

Microscopic model of (CuCl)LaNb2O7: coupled spin dimers replace a frustrated square lattice

We present a microscopic model of the spin-gap quantum magnet (CuCl)LaNb2O7 that was previously suggested as a realization of the spin-1/2 frustrated square lattice. Taking advantage of the precise atomic positions from recent crystal structure refinement, we evaluate individual exchange integrals and construct a minimum model that naturally explains all the available experimental data. Surprisingly, the deviation from tetragonal symmetry leads to the formation of spin dimers between fourth neighbors due to a Cu-Cl-Cl-Cu pathway with a leading antiferromagnetic exchange J4 ~ 25 K. The total in…

Macro- and microscopic properties of strontium doped indium oxide

Solid state synthesis and physical mechanisms of electrical conductivity variation in polycrystalline, strontium doped indium oxide In2O3:(SrO)x were investigated for materials with different doping levels at different temperatures (T=20-300 C) and ambient atmosphere content including humidity and low pressure. Gas sensing ability of these compounds as well as the sample resistance appeared to increase by 4 and 8 orders of the magnitude, respectively, with the doping level increase from zero up to x=10%. The conductance variation due to doping is explained by two mechanisms: acceptor-like elec…