Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator

Lizhi Zhang; Changwon Park; Mina Yoon

doi:10.1021/acs.nanolett.0c02520

Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator

Lizhi Zhang, Changwon Park, Mina Yoon

Microstructural Evolution Modeling

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

We propose a new strategy to engineer topological and magnetic properties of two-dimensional (2D) hexagonal lattices consisting of post-transition metals. Our first-principles calculations demonstrate that substrates serve as templates to form 2D lattices with high thermodynamic stability, where their topological properties as well as magnetic properties sensitively change as a function of lattice constants, i.e., the system undergoes a first-order phase transition from nonmagnetic to ferromagnetic state above a critical lattice constant. Consequently, substrates can be used to explore versatile magnetic, electronic, and quantum topological properties. We establish phase diagrams of versatile quantum phases in terms of exchange coupling and spin-orbit coupling effectively tuned by the lattice constants. We further reveal the first room-temperature quantum anomalous Hall (QAH) effect, i.e., Sn on 2√3 × 2√3 graphane is a QAH insulator with a large spin-orbit coupling gap of ∼0.2 eV and a Curie temperature of ∼380 K by using the 2D anisotropic Heisenberg model.

Original language	English
Pages (from-to)	7186-7192
Number of pages	7
Journal	Nano Letters
Volume	20
Issue number	10
DOIs	https://doi.org/10.1021/acs.nanolett.0c02520
State	Published - Oct 14 2020

Funding

The research was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (first-principles calculations of the effect of substrates); by the Center for Nanophase Materials Sciences (investigation of the gas phase), which is a DOE Office of Science User Facility; and by the Creative Materials Discovery Program through the National Research Foundation of Korea (NRF) (effective Hamiltonian modeling) funded by the Ministry of Science, ICT and Future Planning (NRF-2016M3D1A1919181). This research used resources of the Oak Ridge Leadership Computing Facility and the National Energy Research Scientific Computing Center, U.S. Department of Energy Office of Science User Facilities. Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy (DOE). The U.S. government retains and the publisher, by accepting the article for publication, acknowledges that the U.S. government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. government purposes. The DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).

Funders	Funder number
Center for Nanophase Materials Sciences
DOE Office of Science
National Energy Research Scientific Computing Center
Office of Basic Energy Sciences
U.S. Department of Energy Office of Science
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Division of Materials Sciences and Engineering
Ministry of Science, ICT and Future Planning	NRF-2016M3D1A1919181
National Research Foundation of Korea

Keywords

Magnetism
Quantum anomalous Hall insulator
Tin
graphane

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10.1021/acs.nanolett.0c02520

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title = "Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator",

abstract = "We propose a new strategy to engineer topological and magnetic properties of two-dimensional (2D) hexagonal lattices consisting of post-transition metals. Our first-principles calculations demonstrate that substrates serve as templates to form 2D lattices with high thermodynamic stability, where their topological properties as well as magnetic properties sensitively change as a function of lattice constants, i.e., the system undergoes a first-order phase transition from nonmagnetic to ferromagnetic state above a critical lattice constant. Consequently, substrates can be used to explore versatile magnetic, electronic, and quantum topological properties. We establish phase diagrams of versatile quantum phases in terms of exchange coupling and spin-orbit coupling effectively tuned by the lattice constants. We further reveal the first room-temperature quantum anomalous Hall (QAH) effect, i.e., Sn on 2√3 × 2√3 graphane is a QAH insulator with a large spin-orbit coupling gap of ∼0.2 eV and a Curie temperature of ∼380 K by using the 2D anisotropic Heisenberg model.",

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N2 - We propose a new strategy to engineer topological and magnetic properties of two-dimensional (2D) hexagonal lattices consisting of post-transition metals. Our first-principles calculations demonstrate that substrates serve as templates to form 2D lattices with high thermodynamic stability, where their topological properties as well as magnetic properties sensitively change as a function of lattice constants, i.e., the system undergoes a first-order phase transition from nonmagnetic to ferromagnetic state above a critical lattice constant. Consequently, substrates can be used to explore versatile magnetic, electronic, and quantum topological properties. We establish phase diagrams of versatile quantum phases in terms of exchange coupling and spin-orbit coupling effectively tuned by the lattice constants. We further reveal the first room-temperature quantum anomalous Hall (QAH) effect, i.e., Sn on 2√3 × 2√3 graphane is a QAH insulator with a large spin-orbit coupling gap of ∼0.2 eV and a Curie temperature of ∼380 K by using the 2D anisotropic Heisenberg model.

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Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator

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