Physics – Condensed Matter – Materials Science
Scientific paper
2001-06-05
J. Phys.: Condens. Matter, {\bf 16}, 7733, (2004)
Physics
Condensed Matter
Materials Science
31 pages, 11 figures
Scientific paper
10.1088/0953-8984/16/43/013
We study equilibrium properties of a system of particles in two dimensions, interacting with pair and three body potentials, which undergoes a structural transition from a square to a rhombic lattice and thus constitutes a simple model for a generic tetragonal to orthorhombic transition. We aim at an intermediate level of description lying in-between that of coarse grained elastic strain hamiltonians and microscopic ab-initio approaches. Macroscopic thermodynamic properties and phase diagram at zero and finite temperatures as a function of the density and the relative strengths of the pair and three body energies are obtained using lattice sums, an approximate `cell-model' theory and molecular dynamics simulations in the NVT ensemble. We propose that this model solid can be used as a test bed for studies of statics and dynamics of structural transitions.
Rao Madan
Sengupta Surajit
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