Local Structures Around 3d Transition-Metal Elements in Quenched Glasses with Diopside-Based Composition.

Local structures around the substituted elements in mixed layered oxides

The chemical substitution of a transition metal (M) is an effective method to improve the functionality of a material, such as its electrochemical, magnetic, and dielectric properties. The substitution, however, causes local lattice distortion because the difference in the ionic radius (r) modifies the local interatomic distances. Here, we systematically investigated the local structures in the...

Spinning around in Transition-Metal Chemistry.

The great diversity and richness of transition metal chemistry, such as the features of an open d-shell, opened a way to numerous areas of scientific research and technological applications. Depending on the nature of the metal and its environment, there are often several energetically accessible spin states, and the progress in accurate theoretical treatment of this complicated phenomenon is p...

Amorphous to amorphous insulator-metal transition in GeSe3:Ag glasses

We study an insulator-metal transition in a ternary chalcogenide glass (GeSe3)1−xAgx for x = 0.15 and 0.25. The conducting phase of the glass is obtained by using gap sculpting [Prasai et al., Sci. Rep. 5, 15522 (2015)] and it is observed that the metallic and insulating phases have nearly identical density functional energies but have a conductivity contrast of ∼108. As such, we demonstrate an...

Short-range Oder in Transition Metal-metalloid Glasses

Phase Transition for Quenched Coupled Replicas in a Plaquette Spin Model of Glasses.

We study a three-dimensional plaquette spin model whose low temperature dynamics is glassy, due to localized defects and effective kinetic constraints. The thermodynamics of this system is smooth at all temperatures. We show that coupling it to a second system with a fixed (quenched) configuration leads to a phase transition, at finite coupling. The order parameter is the overlap between the co...