铁电性
材料科学
钙钛矿(结构)
背景(考古学)
凝聚态物理
工程物理
极化(电化学)
氧化物
统计物理学
多铁性
理论物理学
纳米技术
化学物理
计算机科学
物理
压电响应力显微镜
化学
量子力学
地质学
物理化学
古生物学
电介质
作者
Philippe Ghosez,Javier Junquera
标识
DOI:10.1146/annurev-conmatphys-040220-045528
摘要
Taking a historical perspective, we provide a brief overview of the first-principles modeling of ferroelectric perovskite oxides over the past 30 years. We emphasize how the work done by a relatively small community on the fundamental understanding of ferroelectricity and related phenomena has been at the origin of consecutive theoretical breakthroughs, with an impact going often well beyond the limit of the ferroelectric community. In this context, we first review key theoretical advances such as the modern theory of polarization, the computation of functional properties as energy derivatives, the explicit treatment of finite fields, or the advent of second-principles methods to extend the length and timescale of the simulations. We then discuss how these have revolutionized our understanding of ferroelectricity and related phenomena in this technologically important class of compounds. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
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