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Abstract <p>The specific features of the ion transport in paratellurite α-TeO<sub>2</sub> crystals under an external dc electric field have been investigated by the molecular dynamics method. It is shown that the ion transport anisotropy is more pronounced when the field <i>E</i> is directed along the <i>c</i> axis: at <i>E</i> = 350&#xa0;kV/mm the diffusion is enhanced by a factor of about 2 in crystals with oxygen vacancies and by a factor of 3 in samples with additional oxygen interstitials.</p>

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Atomistic Simulation of Paratellurite α-TeO2 Crystal. III: Anisotropy of Ion Transport under External DC Electrical Field

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  • 发表日期：

    2025年2月1日

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  • A. K. Ivanov-Schitz

摘要

Abstract

The specific features of the ion transport in paratellurite α-TeO2 crystals under an external dc electric field have been investigated by the molecular dynamics method. It is shown that the ion transport anisotropy is more pronounced when the field E is directed along the c axis: at E = 350 kV/mm the diffusion is enhanced by a factor of about 2 in crystals with oxygen vacancies and by a factor of 3 in samples with additional oxygen interstitials.