Strain Tuning of Ferroelectric Polarization in Hybrid Organic Inorganic Perovskite Compounds

详细信息    查看全文

• 作者：Saurabh Ghosh ; Domenico Di Sante ; Alessandro Stroppa
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2015
• 出版时间：November 19, 2015
• 年：2015
• 卷：6
• 期：22
• 页码：4553-4559
• 全文大小：445K
• ISSN：1948-7185

文摘

Metal鈥搊rganic frameworks (MOFs) are hybrid crystalline compounds comprised of an extended ordered network made up of organic molecules, organic linkers and metal cations. In particular, MOFs with the same topology as inorganic perovskites have been shown to possess interesting properties, e.g., coexistence of ferroelectric and magnetic ordering. Using first-principles density functional theory, we have investigated the effect of strain on the compounds C(NH₂)₃Cr(HCOO)₃ and (CH₃CH₂NH₃)Mn(HCOO)₃. Here, we show that compressive strain can substantially increase the ferroelectric polarization by more than 300%, and we discuss the mechanism involved in the strain enhancement of polarization. Our study highlights the complex interplay between strain and organic cations鈥?dipoles and put forward the possibility of tuning of ferroelectric polarization through appropriate thin film growing.