# Origin of Spinel Nanocheckerboards via First Principles

Source: [Origin of Spinel Nanocheckerboards via First Principles](<https://www.sota2.com/research/paper/68fa2e4e1e209131ce861ac3>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-28T13:53:26.638Z

Authors: Mordechai Kornbluth, Chris Marianetti

Published: 2015-01-14T20:39:56.000Z

## 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 $\\mathrm{ZnMn\_xGa\_{2-x}O\_4}$ system and the origin of nanocheckerboards. We predict total phase separation at zero temperature, then show the combination of kinetics, thermodynamics, and Jahn-Teller physics that generates the system's observed behavior. We find the {011} surfaces are strongly-preferred energetically, which mandates checkerboard ordering by purely geometrical considerations.

## Recorded benchmark results

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/1501.03480>)

[PDF](<https://arxiv.org/pdf/1501.03480.pdf>)