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杨新建, 李世春, 李红. KNbO_3价电子结构和铁电性的价键电子理论计算[J]. 信阳师范学院学报(自然科学版), 2009, 22(1): 47-49.
引用本文: 杨新建, 李世春, 李红. KNbO_3价电子结构和铁电性的价键电子理论计算[J]. 信阳师范学院学报(自然科学版), 2009, 22(1): 47-49.
shu
YANG Xin-jian, LI Shi-chun, LI Hong. The Valence-electron Structure and Ferroelectricty Calculation of KNbO_3 Using a Valence Bonding Ele[J]. Journal of Xinyang Normal University (Natural Science Edition), 2009, 22(1): 47-49.
Citation: YANG Xin-jian, LI Shi-chun, LI Hong. The Valence-electron Structure and Ferroelectricty Calculation of KNbO_3 Using a Valence Bonding Ele[J]. Journal of Xinyang Normal University (Natural Science Edition), 2009, 22(1): 47-49.
shu

KNbO_3价电子结构和铁电性的价键电子理论计算

The Valence-electron Structure and Ferroelectricty Calculation of KNbO_3 Using a Valence Bonding Ele

    摘要
  • 摘要: 采用固体与分子经验电子理论(EET)计算典型铁电晶体铌酸钾(KNbO3,简称KN)的立方相和四方相的价键电子结构,并在此基础上计算了铌酸钾在四方铁电相的自发极化.计算结果与实验值进行了对比,验证了该经验理论处理铁电性的有效性和可行性.

     

    Abstract: Within the empirical electron theory of solid and molecule(EET),the valence electron structures(VES) of KNbO3 are calculated in cubic phase and teteragonal phase,respectively.Based on the VES obtained,the spontaneous polarization is investigated for the ferroelectric phase,and the result was compared with experimental data.

     

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