期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 6, 期 22, 页码 4553-4559出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.5b01806
关键词
-
类别
资金
- Army Research Office [W911NF-10-1-0345]
- CNR Short Term Mobility program [AMMCNT-CNR 0026336]
- CARIPLO Foundation through the MAGISTER project [Rif. 2013-0726]
Metal organic 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)(3)Cr(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' dipoles and put forward the possibility of tuning of ferroelectric polarization through appropriate thin film growing.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据