Related papers: Short-Range Order and Li$_x$TM$_{4-x}$ Probability…

This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simulations revealed that both boron and carbon dissociated from…

Oxide Li-conducting solid-state electrolytes (SSEs) offer excellent chemical and thermal stability but typically exhibit lower ionic conductivity than sulfides and chlorides. This motivates the search for new oxide materials with enhanced…

We present molecular simulation data for viscosity, self-diffusivity, and the local structural ordering of (i) a hard-sphere fluid and (ii) a square-well fluid with short-range attractions. The latter fluid exhibits a region of dynamic…

Heisenberg-type spin-chain materials have been extensively studied over the years, yet not much is known about their behavior in the presence of disorder. Starting from BaCu$_2$Si$_2$O$_7$, a typical spin-1/2 chain system, we investigate a…

In strongly correlated metals, long-range magnetic order is sometimes found only upon introduction of a minute amount of $disordered$ non-magnetic impurities to the unordered clean samples. To explain such anti-intuitive behavior, we…

Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…

We study the effect of quenched disorder on the zero-range process (ZRP), a system of interacting particles undergoing biased hopping on a one-dimensional periodic lattice, with the disorder entering through random capacities of sites. In…

We performed STM/STS measurements on underdoped Bi2212 crystals with doping levels p ~ 0.11, ~ 0.13 and ~ 0.14 to examine the nature of the nondispersive 4a X 4a charge order in the superconducting state at T << Tc. The charge order appears…

Charge ordering in the low-temperature triclinic structure of titanium oxide (Ti4O7) is investigated using the local density approximation (LDA)+U method. Although the total 3d charge separation is rather small, an orbital order parameter…

The crystal structures of the triangular lattice, layered anhydrous alums KCr(SO4)2, RbCr(SO4)2 and KAl(SO4)2 are characterized by X-ray and neutron powder diffraction at temperatures between 1.4 and 773 K. The compounds all crystallize in…

We have studied numerically the statistics for electronic states (level-spacings and participation ratios) from disordered graphene of finite size, described by the aspect ratio $W/L$ and various geometries, including finite or torroidal,…

Monte Carlo studies of the 3D random field $XY$ model on simple cubic lattices of size $64^3$, using two different isotropic random-field probability distributions of moderate strength, show a glassy freezing behavior above $T_c$, and…

X-ray absorption fine structure measurements of the Sr and La K edges of the solid solution La(1-x)Sr(x)MnO(3) reveal a consistent deviation from a random distribution of Sr at the La/Sr sites for x~0.3. Local structural disorder on the…

The compound La1-xSrxMnO3 exhibits a charge order (CO) state at $x\approx 1/8$ and $T<T_{co}$, which recalls the CO state with a decrease in the temperature of the superconducting transition, $T_c$, observed in all cuprates at this doping…

Compositionally tunable vanadium oxyhydrides Sr2VO4-xHx (x = 0 - 1) without considerable anion vacancy were synthesized by high-pressure solid state reaction. The crystal structures and their properties were characterized by powder neutron…

We present observations of highly frustrated quasi two-dimensional (2D) magnetic correlations in the honeycomb lattice layers of the S$_{eff}$ = 1/2 compound $\gamma$-BaCo$_2$(PO$_4$)$_2$ ($\gamma$-BCPO). Specific heat shows a broad peak…

Taking into account that a proper description of disordered systems should focus on distribution functions, the authors develop a powerful numerical scheme for the determination of the probability distribution of the local density of states…

The Harris-Luck criterion judges the relevance of (potentially) spatially correlated, quenched disorder induced by, e.g., random bonds, randomly diluted sites or a quasi-periodicity of the lattice, for altering the critical behavior of a…

LiFePO$_4$ (LFPO) is an archetypical and well-known cathode material for rechargeable Li-ion batteries. However, its quasi-one-dimensional (Q1D) structure along with the Fe ions, LFPO also displays interesting low-temperature magnetic…

Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…