Charge ordering and self-assembled nanostructures in a fcc Coulomb lattice gas

2005/08/03 by Khang Hoang, Keyur Desai, S. D. Mahanti
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Advanced Thermoelectric Materials and Devices #Magnetic and transport properties of perovskites and related materials #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevb.72.064102

published as Phys. Rev. B 72, 064102 (2005) · 5 pages, 6 figures

openalex publication_date 2005/08/03 · arxiv created 2015/01/06 · arxiv updated 2015/01/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30

Abstract

The compositional ordering of Ag, Pb, Sb, Te ions in (AgSbTe₂)_x(PbTe)_2(1\ensuremath-x) systems possessing a NaCl structure is studied using a Coulomb lattice gas (CLG) model on a face-centered cubic (fcc) lattice and Monte Carlo simulations. Our results show different possible microstructural orderings. Ordered superlattice structures formed out of AgSbTe₂ layers separated by Pb₂Te₂ layers are observed for a large range of x values. For x=0.5, we see an array of tubular structures formed by AgSbTe₂ and Pb₂Te₂ blocks. For x=1, AgSbTe₂ has a body-centered tetragonal (bct) structure which is in agreement with previous Monte Carlo simulation results for restricted primitive model (RPM) at closed packed density. The phase diagram of this frustrated CLG system is discussed.

Citations

• Equation of State Calculations by Fast Computing Machines
• Monte Carlo study of the three-dimensional Coulomb frustrated Ising ferromagnet