title: Origin of Spinel Nanocheckerboards via First Principles.
abstract: Self-organizing nanocheckerboards have been experimentally fabricated in Mn-based spinels but have not yet been explained with first principles. Using density-functional theory, we explain the phase diagram of the ZnMn_{x}Ga_{2-x}O_{4} system and the origin of nanocheckerboards. We predict total phase separation at zero temperature and then show the combination of kinetics, thermodynamics, and Jahn-Teller physics that generates the system's observed behavior. We find that the {011} surfaces are strongly preferred energetically, which mandates checkerboard ordering by purely geometrical considerations.
authors.affiliation: Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, USA.
authors.forename: Mordechai
authors.initials: M
authors.lastname: Kornbluth
authors.affiliation: Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, USA.
authors.forename: Chris A
authors.initials: CA
authors.lastname: Marianetti