【摘 要】
：
Optical polarization,lattice parameters,and electronic properties of ideal pyrochlore with the composition La2Zr2O7 are investigated by Density functional t
【机 构】
：
School of Materials Science and Engineering,Tsinghua University,Beijing 100084,P. R. China
【出 处】
：
The 5th International Congress on Ceramics, ICC5(第五届国际陶瓷大会)
论文部分内容阅读
Optical polarization,lattice parameters,and electronic properties of ideal pyrochlore with the composition La2Zr2O7 are investigated by Density functional theory.Photon thermal properties are inferred from the optical polarization.It is shown that the larger the deviation from the equilibrium position of oxygen atoms(O),the higher optical permittivity,and the photon thermal conductivity play more and more important role in thermal conductivity at high temperature.It is found that the lattice constant,DC permittivity and band gap are also dependent with oxygen atoms(O)s deviation from the equilibrium position of Structural.Mulliken population,and occupied states of oxygen of La2Zr2O7 are also discussed.
其他文献
Co-precipitated from related chlorides zirconia-yttria(8%mol.)gel subjected to hydrothermal treatment at 240℃ for 4h resulted in the solid solution powder
陆面温度对了解地表水循环、能量循环等有着重要意义,但由于混合像元的普遍存在,像元平均温度的概念用于陆地表面存在不确定性,对组分温度的研究更有利于深入像元内部,对蒸散
Transparent aluminum oxynitride(AlON)ceramics were fabricated by hot isostatic pressing technology at 1900℃ for 2h under 190MPa argon atmosphere,using as-p
紫花苜蓿是世界上非常重要的牧草之一。由于近年来土壤盐渍化程度的加重,使苜蓿大幅减产,培育高耐盐性苜蓿新品种就显得至关重要。目前利用转基因技术能够快速有效的获得抗盐苜蓿新品种。SsNHXI基因是来源于盐地碱蓬的一个编码Na+/H+逆向转运蛋白的基因,其可将Na+区隔到液泡中,从而提高植物的耐盐性。近几年研究还发现,解旋酶在植物抗逆性方面也起着至关重要的作用。PDH45是来源于豌豆的一种DNA解旋酶,
近年来，无人机在军事及救灾方面作用凸显。无论是军事目标打击、侦察追踪还是地震海啸的救灾减灾，无人机快速、灵活、机动的优势彰显无遗。因此，无人机作为一种遥感平台，也日益受
Recently yttrium aluminum garnet(YAG)has received much attention due to its excellent optical and mechanical properties.Untill now,YAG powders are mostly sy
在当前的洪灾应急管理系统中,多采用遥感和GIS等空间观测技术,结合水文观测站点对洪灾进行监测,但是,存在数据处理周期较长,观测站数量不足等问题,针对这一点,提出利用移动终
Transparent ceramics can find applications in a wide variety of domains and more particularly,laser applications as high power lasers sources,which require
智慧城市是智慧地球建设中的重要环节，而楼盘建筑物是城市中的重要组成部分。因此如何建立好数字楼盘小区等地物在建立数字地球、智慧地球中具有举足轻重的地位。随着可视化、
任何一种绘画的外在特征和其所蕴含的内在精神意蕴,都会受到民族文化的深刻影响。意象油画唯有融入传统文化的精华,才能有真正的发展,才能使油画真正形成自己的中国风格与中