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Strain-controlled magnetic phase diagrams of the anisotropic three-dimensional Hubbard model

Sudip Mandal1, Mihir Ranjan Sahoo2, and Kalpataru Pradhan1,*

  • *Contact author: kalpataru.pradhan@saha.ac.in
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APS Open Sci. 1, 000152 – Published 24 September, 2026

DOI: https://doi.org/10.1103/w5sx-ptqk

Abstract

Epitaxial strain provides a powerful, nonchemical route to tune the properties of functional materials by modifying the coupling between spin, charge, and lattice degrees of freedom. We investigate strain-controlled magnetic transitions within an anisotropic half-filled one-band Hubbard model in three dimensions. In this framework, strain is introduced through anisotropic hopping processes between nearest- and next-nearest-neighbor sites. Using a semiclassical Monte Carlo (s-MC) approach, we construct ground-state phase diagrams in the nonperturbative regime, which show how uniaxial hopping anisotropy stabilizes distinct magnetic ground states: Compressive strain drives a transition from a G-type to a C-type antiferromagnetic (AF) insulator, whereas tensile strain suppresses the C-type AF order, favoring an A-type AF phase. Furthermore, we examine the effect of the on-site Hubbard interaction strength (U) on these phase diagrams, revealing systematic evolution of the competing magnetic phases. Overall, our s-MC calculations emphasize that directional electronic anisotropy is a powerful tuning parameter for controlling competing magnetic orders in correlated systems, offering valuable insights for the design of strain-controlled materials.

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APS Open Sci. 1, 000152– Published 24 September, 2026
Vol. 1
  • Received 6 February 2026
  • Revised 28 August 2026
  • Accepted 15 September 2026
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