APS Logo

Jahn-Teller Solid, Liquid and Gas spin Spin-crossover System Mn(taa)

ORAL

Abstract

Magnetoelectric coupling is of fundamental interest to understanding spin-charge-lattice interactions,
however also has potential for applications in spintroics for moving beyond Moore's law. The lower Young's modulus in molecule-based materials offers great potential for lattice-mediated magnetoelectric coupling. The molecular magnet Mn(taa) is a spin-crossover system where the spin-state has a phase transition between low-spin state to high-spin state around 45 K. Recently, the magnetoelectric coupling was observed in Mn(taa). Here, we investigated the microscopic origin of the phase transition and magnetoelectric coupling in spin-crossover system Mn(taa) via first-principles and Monte Carlo simulation. DFT calculations indicate that phonon play a key role during spin-crossover transition. Monte Carlo simulations using parameters from DFT and experimental data yield new physical insights into various phases observed experimentally. Jahn-Teller gas, liquid, and solid phases are defined according to the degrees of correlation in the polarization.

–

Presenters

  • Jie-Xiang Yu

    Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida

Authors

  • Jie-Xiang Yu

    Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida

  • Dian-Teng Chen

    Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, University of Florida

  • Jie Gu

    Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida

  • Jia Chen

    Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, University of Florida

  • Jun Jiang

    University of Florida, Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida

  • Long Zhang

    Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, Center for Molecular Magnetic Quantum Materials, University of Florida

  • Yue Yu

    Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, Department of Physics, University of Florida, Department of Physics and the Quantum Theory Project, University of Florida, Gainesville, FL

  • Xiaoguang Zhang

    Department of Physics and the Quantum Theory Project, University of Florida, University of Florida, Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, Department of Physics, University of Florida, Department of Physics and the Quantum Theory Project, University of Florida, Gainesville, FL, Physics, University of Florida

  • Vivien Zapf

    Los Alamos Natl Lab, National High Magnetic Field Lab, Los Alamos National Lab, Pulsed Field Facility, Los Alamos National Lab, Los Alamos National Lab, Los Alamos National Laboratory

  • Hai-Ping Cheng

    University of Florida, Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, Department of Physics, University of Florida, Physics, University of Florida