Structural and electronic transformations in TiO2 induced by electric current

arXiv - PHYS - Materials Science Pub Date : 2024-09-12 DOI:arxiv-2409.08223

Tyler C. Sterlinga, Feng Ye, Seohyeon Jo, Anish Parulekar, Yu Zhang, Gang Cao, Rishi Raj, Dmitry Reznik

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Abstract

In-situ diffuse neutron scattering experiments revealed that when electric current is passed through single crystals of rutile TiO2 under conditions conducive to flash sintering, it induces the formation of parallel planes of oxygen vacancies. Specifically, a current perpendicular to the c-axis generates planes normal to the (132) reciprocal lattice vector, whereas currents aligned with the c-axis form planes normal to the (132) and to the (225) vector. The concentration of defects increases with incresing current. The structural modifications are linked to the appearance of signatures of interacting Ti3+ moments in magnetic susceptibility, signifying a structural collapse around the vacancy planes. Electrical conductivity measurements of the modified material reveal several electronic transitions between semiconducting states (via a metal-like intermediate state) with the smallest gap being 27 meV. Pristine TiO2 can be restored by heating followed by slow cooling in air. Our work suggests a novel paradigm for achieving switching of electrical conductivity related to the flash phenomenon

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电流诱导的二氧化钛结构和电子变化

原位弥散中子散射实验表明，当电流在适合闪烁烧结的条件下通过金红石二氧化钛单晶时，会诱导氧空位平行平面的形成。具体来说，垂直于 c 轴的电流会产生法线指向 (132) 倒晶格矢量的平面，而与 c 轴对齐的电流则会形成法线指向 (132) 和 (225) 矢量的平面。缺陷的浓度随着电流的增大而增加。结构改性与磁感应强度中出现的相互作用 Ti3+ 标记有关，这表明空位平面周围出现了结构坍塌。对改性材料的电导率测量揭示了半导体态（通过类金属中间态）之间的若干电子跃迁，最小间隙为 27 meV。通过在空气中加热并缓慢冷却，可以恢复原始二氧化钛。我们的工作为实现与闪烁现象有关的导电性切换提供了一种新的范例

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arXiv - PHYS - Materials Science

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