可持续 OTS 材料的第一原理筛选

IF 1.4 4区 物理与天体物理 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC
S. Clima , D. Matsubayashi , T. Ravsher , D. Garbin , R. Delhougne , G.S. Kar , G. Pourtois
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引用次数: 0

摘要

Chalcogenides Ovonic Threshold Switching (OTS) Chalcogenide 材料具有适合双端选择器应用的电子特性。为了减少有毒元素的使用,有必要用环保型 OTS 材料取代目前使用的 As 和 Se 材料。为了加快这类材料的发现,我们仅通过原子第一性原理模拟预测了电子器件参数,并对替代 OTS 成分进行了理论筛选。借助已确定的理论阱/迁移率间隙、局部原子配位环境与实验测量的阈值、保持电压或保持、漏电流之间的相关性,以及其他基于物理学的材料参数筛选(如材料稳定性和 OTS 量规),我们确定了超过 35 种有前景的无砷/无硒三元合金 OTS 成分。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
First-principles screening for sustainable OTS materials

Chalcogenides Ovonic Threshold Switching (OTS) chalcogenide materials have suitable electronic properties for two-terminal selector application. To reduce the use of toxic elements, there is a need to replace As and Se of the presently-used OTS materials with environmentally friendly OTS materials. In an effort to accelerate the discovery of such materials, we predicted electrical device parameters only from atomistic first-principles simulations and performed a theoretical screening for alternative OTS compositions. With the help of the identified correlations between the theoretical trap/mobility gaps, the local atomic coordination environments and the experimentally-measured threshold, hold voltages or hold, leakage currents and other physics-based material parameter filters like material stability and OTS gauge, we identified more than 35 promising As/Se-free ternary alloy OTS compositions.

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来源期刊
Solid-state Electronics
Solid-state Electronics 物理-工程:电子与电气
CiteScore
3.00
自引率
5.90%
发文量
212
审稿时长
3 months
期刊介绍: It is the aim of this journal to bring together in one publication outstanding papers reporting new and original work in the following areas: (1) applications of solid-state physics and technology to electronics and optoelectronics, including theory and device design; (2) optical, electrical, morphological characterization techniques and parameter extraction of devices; (3) fabrication of semiconductor devices, and also device-related materials growth, measurement and evaluation; (4) the physics and modeling of submicron and nanoscale microelectronic and optoelectronic devices, including processing, measurement, and performance evaluation; (5) applications of numerical methods to the modeling and simulation of solid-state devices and processes; and (6) nanoscale electronic and optoelectronic devices, photovoltaics, sensors, and MEMS based on semiconductor and alternative electronic materials; (7) synthesis and electrooptical properties of materials for novel devices.
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