T. Qi, S. Levchenko, J. Bennett, I. Grinberg, A. Rappe
{"title":"New Prospects for High Performance SONAR, Chemical Sensor, and Communication Device Materials","authors":"T. Qi, S. Levchenko, J. Bennett, I. Grinberg, A. Rappe","doi":"10.1109/HPCMP-UGC.2009.34","DOIUrl":null,"url":null,"abstract":"Perovskite oxides are a special group of materials, which exhibit many interesting properties, such as ferroelectricity, ferromagnetism, superconductivity, and high dielectric constant. Their unique physical properties lead to a variety of technological applications. Using quantum-mechanical simulations, we have computationally investigated several perovskite materials for use in Naval SONAR, chemical sensor and communications devices. We elucidate the influence of the constituent elements on technologically relevant properties, furthering the goal of achieving higher performance through modification of the material chemical composition.","PeriodicalId":268639,"journal":{"name":"2009 DoD High Performance Computing Modernization Program Users Group Conference","volume":"51 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2009-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2009 DoD High Performance Computing Modernization Program Users Group Conference","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/HPCMP-UGC.2009.34","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 4
Abstract
Perovskite oxides are a special group of materials, which exhibit many interesting properties, such as ferroelectricity, ferromagnetism, superconductivity, and high dielectric constant. Their unique physical properties lead to a variety of technological applications. Using quantum-mechanical simulations, we have computationally investigated several perovskite materials for use in Naval SONAR, chemical sensor and communications devices. We elucidate the influence of the constituent elements on technologically relevant properties, furthering the goal of achieving higher performance through modification of the material chemical composition.