Dynamic Displacement Disorder of Cubic BaTiO$_3$

التفاصيل البيبلوغرافية
العنوان: Dynamic Displacement Disorder of Cubic BaTiO$_3$
المؤلفون: Paściak, M., Welberry, T. R., Kulda, J., Leoni, S., Hlinka, J.
المصدر: Phys. Rev. Lett. 120, 167601 (2018)
سنة النشر: 2017
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Materials Science
الوصف: The three dimensional distribution of the X-ray diffuse scattering intensity of BaTiO$_3$ has been recorded in a synchrotron experiment and simultaneously computed using molecular dynamics simulations of a shell-model. Together these have allowed the details of the disorder in paraelectric BaTiO$_3$ to be clarified. The narrow sheets of diffuse scattering, related to the famous anisotropic longitudinal correlations of Ti ions, are shown to be caused entirely by the overdamped anharmonic soft phonon branch. This finding demonstrates that the occurrence of narrow sheets of diffuse scattering agrees with a displacive picture of the cubic phase of this textbook ferroelectric material.
Comment: 5 pages, 4 figures
نوع الوثيقة: Working Paper
DOI: 10.1103/PhysRevLett.120.167601
URL الوصول: http://arxiv.org/abs/1711.06566
رقم الأكسشن: edsarx.1711.06566
قاعدة البيانات: arXiv
الوصف
DOI:10.1103/PhysRevLett.120.167601