Jun 20, 2023 · We propose a first-principles model of minimum lattice thermal conductivity ([Formula: see text]) based on a unified theoretical treatment of thermal transport in crystals and glasses.

Jun 27, 2023 · We propose a first-principles model of minimum lattice thermal conductivity ([Formula: see text]) based on a unified theoretical treatment of thermal transport in crystals and glasses.

La2CuO 4 may be viewed as if constructed from an ABAB... arrangement of Perovskite cells - known as an AB Perovskite! In transition metal compounds, d electron effects such as crystal field stabilization energy (CFSE) can be important in determining structure.

Jun 29, 2018 · The proposed κ two-channel values using the CWP formula and the Einstein κ formula give the range of values shown by the shaded area between the red curves. A small “radiation tail” can be seen in the measured Tl3VSe4 κ data near 300 K.

In this paper we use a statistical approach to find the average, taken over all configurations of the crystal, of the correlation between a pair of atoms within the crystal. This correlation will be a function of the temperature, and will depend on the relative position of the atoms in the pair.

Nov 13, 2022 · Show how alternative ways of stacking three close-packed layers can lead to the hexagonal or cubic close packed structures. Explain the origin and significance of octahedral and tetrahedral holes in stacked close-packed layers, and show how they can arise.

Jun 19, 2019 · We show that the overall frequency scale of the acoustic phonons and the size of the gap between acoustic and optic phonons play important roles in determining the lattice thermal conductivity...

Jul 1, 2009 · By carefully examining the dependence of the magnetic response on the lattice parameters in a planar cut-wire-pair (CWP) structure, we found that a strong effect of the interaction between...

Our aim is to give information about all the interesting lattices in "low" dimensions (and to provide them with a "home page"!). The data-base now contains about 160,000 lattices! Tables: densest packings, modular lattices, extremal strongly modular lattices, unimodular lattices. External Tables: kissing numbers maintained by Henry Cohn.

We propose a first-principles model of minimum lattice thermal conductivity (k L min) based on a unified theoretical treatment of thermal transport in crystals and glasses.