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机译:用屏蔽杂化功能研究了金属氧化物钙钛矿SrTiO_3,LaAlO_3和LaTiO_3的结构相变
Department of Chemistry, Texas A&M at Qatar, Texas A&M Engineering Building, Education City, Doha, Qatar;
Department of Chemistry, Texas A&M at Qatar, Texas A&M Engineering Building, Education City, Doha, Qatar;
Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA;
Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA;
Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA,Department of Physics and Astronomy, Rice University, Houston, Texas 77005-1892, USA,Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia;
density functional theory; local density approximation; gradient and other corrections; basis sets (LCAO; plane-wave; APW; etc.) and related methodology (scattering methods; ASA; linearized methods; etc.); dielectric; piezoelectric; ferroelectric; and antiferroelectric;
机译:再探LaAlO_3 / SrTiO_3界面处的金属-绝缘体转变:混合功能研究
机译:应用于3d〜0→3d〜8过渡金属钙钛矿LaMO_3(M = Sc-Cu)的筛选杂化功能:交换混合参数对结构,电子和磁性的影响
机译:通过筛选的混合密度泛函计算,可以发现层状过渡金属氧化物中的化学缺陷
机译:过渡金属取代SRTIO_3钙钛矿作为氧传感器的有希望的功能材料
机译:层状氧化钙钙质的微波辅助Topemical操作:从无机层状氧化物到无机 - 有机杂交钙酸盐和官能化金属氧化物纳米液中
机译:基于海绵的还原型氧化石墨烯和过渡金属氢氧化物的混合材料的开发用于混合储能装置
机译:金属氧化物钙钛矿SrTiO3,LaAlO3和LaTiO3的结构相变研究