" Predicted novel helium compounds under high pressure via CALYPSO "

ORAL

Abstract

The knowledge of the structures that can exist in compounds containing helium is of interest for understanding the conditions where and if this inert element can form structures where closed shell electrons of helium can participate in bonding that is not describable exclusively by van der Waals interactions alone. In this work, we examine some mixtures of He and H2O, N2or some minerals at high pressures using a first-principles structure searching method (CALYPSO). We find some thermodynamically stable structures under pressure. These mechanically and dynamically stable structures are found at pressures that are now becoming accessible to high-pressure technique. The present results offer insights for the understanding of the plausible reaction between helium with minerals in the Earth’s or other exoplanetary interiors.

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Presenters

  • Hanyu Liu

    IInnovation Center for Computational Physics Method and Software, College of Physics, Jilin university, Innovation Center for Computational Physics Methods and Software, College of Physics, Jilin university

Authors

  • Hanyu Liu

    IInnovation Center for Computational Physics Method and Software, College of Physics, Jilin university, Innovation Center for Computational Physics Methods and Software, College of Physics, Jilin university

  • Jurong Zhang

    IInnovation Center for Computational Physics Method and Software, College of Physics, Jilin university

  • Yinwei Li

    School of Physics and Electronic Engineering, Jiangsu Normal University

  • Jian Lv

    IInnovation Center for Computational Physics Method and Software, College of Physics, Jilin university

  • Yansun Yao

    Department of Physics and Engineering Physics, University of Saskatchewan

  • Xiaolei Feng

    Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, Center for High Pressure Science and Technology Advanced Research (HPSTAR)

  • Simon Redfern

    Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, Department of Earth Sciences, University of Cambridge

  • Changfeng Chen

    Department of Physics, University of Nevada, Las Vegas

  • Yanming Ma

    IInnovation Center for Computational Physics Method and Software, College of Physics, Jilin university, State Key Laboratory of Superhard Materials, Jilin University, Innovation Center for Computational Physics Methods and Software, College of Physics, Jilin university