Academic Journal
Many-body and Covalence Effects in the Polarization
| العنوان: | Many-body and Covalence Effects in the Polarization |
|---|---|
| المؤلفون: | Of Ferroelectric Perovskites, R. Resta, S. Sorella |
| المساهمون: | The Pennsylvania State University CiteSeerX Archives |
| المصدر: | http://arxiv.org/pdf/cond-mat/9411050v1.pdf. |
| سنة النشر: | 1994 |
| المجموعة: | CiteSeerX |
| الوصف: | The ferroelectric polarization of perovskite oxides is much larger than implied by displacement of static ionic charges. We use an explicitly correlated scheme to investigate the phenomenon; charge transport is evaluated as a geometric quantum phase. Both covalence and electron-electron interaction enhance polarization in the weakly correlated regime. At higher values of the electron-electron interaction, the system undergoes a transition from a band insulator to a Mott insulator: the static ionic charge is continuous across the transition, whereas the polarization is discontinuous. Above the transition, oxygen transports a positive charge. SISSA Preprint # 174/94/CM/MB Typeset using REVTEX 1 The large values of the spontaneous polarization in ferroelectric perovskites cannot be explained on the basis of a simple ionic model. For instance, the effective dynamical charge associated to an oxygen displacement during the ferroelectric distortion is of the order of |
| نوع الوثيقة: | text |
| وصف الملف: | application/pdf |
| اللغة: | English |
| Relation: | http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.305.7416; http://arxiv.org/pdf/cond-mat/9411050v1.pdf |
| الاتاحة: | http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.305.7416 http://arxiv.org/pdf/cond-mat/9411050v1.pdf |
| Rights: | Metadata may be used without restrictions as long as the oai identifier remains attached to it. |
| رقم الانضمام: | edsbas.1BA07AA7 |
| قاعدة البيانات: | BASE |
| الوصف غير متاح. |