S. Clima , D. Matsubayashi , T. Ravsher , D. Garbin , R. Delhougne , G.S. Kar , G. Pourtois
{"title":"First-principles screening for sustainable OTS materials","authors":"S. Clima , D. Matsubayashi , T. Ravsher , D. Garbin , R. Delhougne , G.S. Kar , G. Pourtois","doi":"10.1016/j.sse.2024.108876","DOIUrl":null,"url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":21909,"journal":{"name":"Solid-state Electronics","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid-state Electronics","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S003811012400025X","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
Abstract
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.
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.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
