Scaled free energies, power-law potentials, strain pseudospins, and quasiuniversality for first-order structural transitions
Creators
- 1. International Centre for Theoretical Physics, Trieste 34014 (Italy)
- 2. School of Physics, University of Hyderabad, Hyderabad 500046 (India)
- 3. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
Description
We consider ferroelastic first-order phase transitions with NOP order-parameter strains entering Landau free energies as invariant polynomials that have NV structural-variant Landau minima. The total free energy includes (seemingly innocuous) harmonic terms, in the n=6-NOP nonorder-parameter strains. Four three-dimensional (3D) transitions are considered, tetragonal/orthorhombic, cubic/tetragonal, cubic/trigonal, and cubic/orthorhombic unit-cell distortions, with, respectively, NOP=1, 2, 3, and 2; and NV=2, 3, 4, and 6. Five two-dimensional (2D) transitions are also considered, as simpler examples. Following Barsch and Krumhansl, we scale the free energy to absorb most material-dependent elastic coefficients into an overall prefactor, by scaling in an overall elastic energy density; a dimensionless temperature variable; and the spontaneous-strain magnitude at transition λ<<1. To leading order in λ the scaled Landau minima become material independent, in a kind of ''quasiuniversality.'' The scaled minima in NOP-dimensional order-parameter space, fall at the center and at the NV corners, of a transition-specific polyhedron inscribed in a sphere, whose radius is unity at transition. The ''polyhedra'' for the four 3D transitions are, respectively, a line, a triangle, a tetrahedron, and a hexagon. We minimize the n terms harmonic in the nonorder-parameter strains, by substituting solutions of the ''no dislocation'' St Venant compatibility constraints, and explicitly obtain power-law anisotropic, order-parameter interactions, for all transitions. In a reduced discrete-variable description, the competing minima of the Landau free energies induce unit-magnitude pseudospin vectors, with NV+1 values, pointing to the polyhedra corners and the (zero-value) center. The total scaled free energies then become ZNV+1 clocklike pseudospin Hamiltonians, with temperature-dependent local Landau terms, nearest-neighbor Ginzburg couplings, and power-law St Venant interactions that drive the elastic domain-wall texturing. The scaled free energies can be used in relaxational or underdamped dynamic simulations to study ferroelastic strain textures and their dynamical evolution pathways. The pseudospin models can similarly be studied via local meanfield treatments and Monte Carlo simulations.
Additional details
Identifiers
- DOI
- 10.1103/PhysRevB.82.144103;
- arXiv
- arXiv:1010.5538v2;
Publishing Information
- Journal Title
- Physical Review. B, Condensed Matter and Materials Physics
- Journal Volume
- 82
- Journal Issue
- 14
- Journal Page Range
- p. 144103-144103.21
- ISSN
- 1098-0121
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42015847
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ANISOTROPY; COMPUTERIZED SIMULATION; CRYSTAL-PHASE TRANSFORMATIONS; DISLOCATIONS; ENERGY DENSITY; FREE ENERGY; HAMILTONIANS; INTERACTIONS; MONTE CARLO METHOD; ORDER PARAMETERS; ORTHORHOMBIC LATTICES; SCALING; STRAINS; TEMPERATURE DEPENDENCE; TEXTURE; THREE-DIMENSIONAL CALCULATIONS; TWO-DIMENSIONAL CALCULATIONS
- Descriptors DEC
- CALCULATION METHODS; CRYSTAL DEFECTS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DIMENSIONLESS NUMBERS; ENERGY; LINE DEFECTS; MATHEMATICAL OPERATORS; PHASE TRANSFORMATIONS; PHYSICAL PROPERTIES; QUANTUM OPERATORS; SIMULATION; THERMODYNAMIC PROPERTIES
Optional Information
- Notes
- (c) 2010 The American Physical Society