纤锌矿晶体结构
材料科学
铁电性
凝聚态物理
极化(电化学)
矫顽力
密度泛函理论
宽禁带半导体
化学
光电子学
计算化学
电介质
锌
冶金
物理
物理化学
作者
Sergiu Clima,C. Pashartis,Jasper Bizindavyi,S. R. C. McMitchell,Michel Houssa,J. Van Houdt,Geoffrey Pourtois
摘要
Density functional theory predicts an abrupt drop in the stability, in the kinetic barrier for polarization reversal and spontaneous polarization of a ScxAl1−xN wurtzite phase, when the Sc:Al ratio approaches 50:50. The same effect is obtained by the application of a tensile strain. The resulting polarization reversal barrier correlates with experimental coercive fields, and highly textured film measurements exhibit polarization values close to the theoretically predicted ones. Film thickness below 5 nm has a significant impact on the elastic properties.
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