Strain Engineering of Ferroelectricity in a Monolayer CuInP<sub>2</sub>S<sub>6</sub>

ORAL

Abstract

This study explores the strain effect on the ferroelectric properties of a monolayer CuInP2S6 , which can greatly impact the performance of the emerging van der Waals ferroelectric devices such as the ferroelectric tunnel junctions, ferroelectric random-access memories, and ferroelectric field-effect transistors. By employing density-functional theory calculations, we elucidate the effects of strain on the electronic structures and ferroelectric properties of the material. The underlying mechanism of such strain engineering is revealed through an analysis of strain-dependent formation energy, charge distribution, density of states, and more. These findings highlight the potential of strain as a tool for lowering transition barriers and facilitating ferroelectricity switching via an electric field, thus enhancing the performance of monolayer CIPS in energy-efficient devices.

*D.A., T.Z., and I.Ž. were supported by the Air Force Office of Scientific Research under Award No. FA9550-22-1-0349, the National Science Foundation under award No. CMMI-2233592 and the Center for Computational Research at the University at Buffalo. C.G. acknowledges the support from the Air Force Office of Scientific Research under Award No. FA9550-22-1-0349 and National Science Foundation under Award Nos. CMMI-2233592 and 49100423C0011. S.S. and J.C. were supported by Semiconductor Research Corporation JUMP2.0 SUPREME center. This work made use of the electron microscopy facility of the Platform for the Accelerated Realization, Analysis, and Discovery of Interface Materials (PARADIM), which is supported by the National Science Foundation under Cooperative Agreement No. DMR-2039380, and the Cornell Center for Materials Research Shared Facilities which are supported through the NSF MRSEC program (DMR-1719875). X.L. and Q.T. acknowledge the support from the Department of Energy (DOE) under Award No. DE-SC0021064 and National Science Foundation under Award No. 1945364.

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Publication: Manuscript Number: MTELEC-D-23-00059
Strain Engineering of Ferroelectricity in a Monolayer CuInP2S6

Presenters

  • Denzel Ayala

    • University at Buffalo

Authors

  • Denzel Ayala

    • University at Buffalo

  • Tong Zhou

    • University at Buffalo

  • Ti Xie

    • Department of Electrical and Computer Engineering and Quantum Technology Center University of Maryland

  • Saif Siddique

    • Cornell University

  • Qishuo Tan

    • Boston University

  • Xi Ling

    • Boston University

  • Judy J Cha

    • Cornell University

  • Cheng Gong

    • University of Maryland, College Park

  • Igor Zutic

    • State Univ of NY - Buffalo