A first-principles investigation of pressure induced topological phase transitions in half-Heusler AgSrBi

Pressure-induced topological phase transitions in membranes.

Some highly unusual features of a lipid-water liquid crystal are revealed by high pressure x-ray diffraction, light scattering and dilatometric studies of the lamellar (bilayer Lα) to nonlamellar inverse hexagonal (HII) phase transition. (i) The size of the unit cell of the HII phase increases with increasing pressure. (ii) The transition volume, ∆Vbh, decreases and appears to vanish as the pre...

Thermal conductivity of half-Heusler compounds from first-principles calculations

conductivity of half-Heusler compounds from first-principles calculations. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. We demonstrate successful application of...

Half-metallic Co-based quaternary Heusler alloys for spintronics: Defect- and pressure-induced transitions and properties

Phase transitions in BaTiO3 from first principles.

We develop a first-principles scheme to study ferroelectric phase transitions for perovskite compounds. We obtain an effective Hamiltonian which is fully specified by first-principles ultra-soft pseudopotential calculations. This approach is applied to BaTiO3, and the resulting Hamiltonian is studied using Monte Carlo simulations. The calculated phase sequence, transition temperatures, latent h...

Formation of topological defects in first order phase transitions.

c) Address after October 1st 1993: School of Mathematical and Physical Sciences, University of Sussex, Brighton BN1 9QH, U.K. We analyze the evolution of scalar and gauge fields during first order phase transitions and show how the Kibble mechanism1) for the formation of topological defects emerges from the underlying dynamics, paying particular attention to problems posed by gauge invariance w...