Theoretical Model for Cubic‐to‐Tetragonal Phase Transformations in Transition Metal Spinels

1959 ◽  
Vol 30 (4) ◽  
pp. S30-S31 ◽  
Author(s):  
Peter J. Wojtowicz
Keyword(s):  
Theoretical Model ◽  
Transition Metal ◽  
Phase Transformations ◽  
Tetragonal Phase

scholarly journals Non-equilibrium Structural Phase Transformations in Atomically Thin Transition Metal Dichalcogenides

2020 ◽  
Vol 26 (S2) ◽  
pp. 632-633
Author(s):  
Pawan Kumar ◽  
James Horwath ◽  
Alexandre Foucher ◽  
Chrisopher Price ◽  
Natalia Acero ◽  
...  
Keyword(s):  
Transition Metal ◽  
Phase Transformations ◽  
Structural Phase ◽  
Transition Metal Dichalcogenides ◽  
Metal Dichalcogenides ◽  
Structural Phase Transformations ◽  
Non Equilibrium

Phase-Dield Simulation of Rhombohedral and Tetragonal Phases in Ferroelectric Single Crystals

Aerospace ◽  
2006 ◽  
Author(s):  
T. Liu ◽  
C. S. Lynch
Keyword(s):  
Free Energy ◽  
Phase Transformations ◽  
Single Crystals ◽  
Electric Fields ◽  
Tetragonal Phase ◽  
Ferroelectric Materials ◽  
Integration Scheme ◽  
Ferroelectric Crystal ◽  
Domain Structures ◽  
Tdgl Equation

Ferroelectric materials exhibit spontaneous polarization and domain structures below the Curie temperature. In this work the phase field approach has been used to simulate phase transformations and the formation of ferroelectric domain structures. The evolution of phases and domain structures was simulated in ferroelectric single crystals by solving the time dependent Ginzburg-Landau (TDGL) equation with polarization as the order parameter. In the TDGL equation the free energy of a ferroelectric crystal is written as a function of polarization and applied fields. Change of temperature as well as application of stress and electric fields leads to change of the free energy and evolution of phase states and domain structures. In this work the finite difference method was implemented for the spatial description of the polarization and the temporal evolution of polarization field was computed by solving the TDGL equation with an explicit time integration scheme. Cubic to tetragonal, cubic to rhombohedral and rhombohedral to tetragonal phase transformations were modeled, and the formation of domain structures was simulated. Field induced polarization switching and rhombohedral to tetragonal phase transition were simulated.

Ab initio study of phase transformations in transition-metal disilicides

2011 ◽  
Vol 19 (7) ◽  
pp. 919-926 ◽  
Author(s):  
T. Káňa ◽  
M. Šob ◽  
V. Vitek
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Phase Transformations ◽  
Ab Initio Study

TEMPERATURE-DEPENDENT ELECTRONIC STRUCTURE AND MAGNETIC BEHAVIOUR OF MOTT INSULATORS

1993 ◽  
Vol 07 (01n03) ◽  
pp. 333-336
Author(s):  
W. NOLTING ◽  
L. HAUNERT ◽  
G. BORSTEL
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Theoretical Model ◽  
Transition Metal ◽  
Magnetic Behaviour ◽  
Mott Insulators ◽  
Temperature Dependent ◽  
Electronic And Magnetic Properties ◽  
Coulomb Correlations

The temperature-dependent electronic and magnetic properties of transition metal monoxides are calculated by use of a theoretical model which takes into account strong 3d Coulomb correlations and 2p-3d hybridization.

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