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PbTiO₃铁电相及顺电相的声子色散理论计算

THE THEORETICAL CALCULATION ABOUT PHONON DISPERSION OF THE TETRAGONAL AND CUBIC PHASES IN PbTiO₃

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【Author】 LIU PING\ XU WEN\|LAN\ LI ZHI\|FENG\ MIAO ZHONG\|LIN\ LU WEI (National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai\ 200083,China) (Received 2 July 2000; revised manuscript received 19

【机构】中国科学院上海技术物理研究所红外物理国家实验室!上海200083；中国科学院上海技术物理?；

【摘要】用统一的、参数物理意义明确的刚性离子模型研究了铁电体PbTiO3 铁电相和顺电相的声子色散关系和布里渊区中心有关相变的振动模 ,用比以往计算少得多的参数得到了比较好的结果 ,并提出了研究软模的简化模型构想 .更多还原

【Abstract】 The rigid\|ion model with only eight or nine meaningful parameters is applied to calculate the dispersion relations of both ferroelectric and paraelectric phases in PbTiO\-3. Phonon frequencies and vibration mode at the zone center were obtained. The good agreement between our calculation and the previously mode with eighteen parameters is shown. A simple model for investigation of the soft modes is suggested.更多还原