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The perovskite oxynitride LaTiO\textsubscript{2}N is a promising material for photocatalytic water splitting under visible light. One of the obstacles towards higher efficiencies of this and similar materials stems from charge-carrier…

Materials Science · Physics 2018-01-31 Nathalie Vonrüti , Ulrich Aschauer

Oxynitrides with the perovskite structure are promising candidates for photocatalysis under visible light due to their appropriate optical and electronic properties. Recently, layered perovskites have attracted attention for their improved…

Materials Science · Physics 2018-02-12 Maria Bouri , Ulrich Aschauer

Using a materials by design approach, the authors find a class of ordered oxynitride piezoelectrics with perovskite structure. They predict that ordered YSiO2N and YGeO2N are characterized by large nonlinear optic responses and by some of…

Materials Science · Physics 2007-09-05 Razvan Caracas , R. E. Cohen

Perovskite oxynitrides are, due to their reduced band gap compared to oxides, promising materials for photocatalytic applications. They are most commonly synthesized from {110} layered Carpy-Galy (A$_2$B$_2$O$_7$}) perovskites via thermal…

Materials Science · Physics 2023-08-16 Chiara Ricca , Tristan Blandenier , Valérie Werner , Xing Wang , Simone Pokrant , Ulrich Aschauer

Oxide growth with semiconductor-like accuracy has led to atomically precise thin films and interfaces that exhibit a plethora of phases and functionalities not found in the oxide bulk material. This yielded spectacular discoveries such as…

For decades, numerous attempts have been made to produce polar oxynitride perovskites, where some of the oxygen are replaced by nitrogen, but a polar ordered oxynitride has never been demonstrated. Caracas and Cohen studied possible ordered…

The (001) surfaces of polar perovskites BaTiO$_3$ and PbTiO$_3$ have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost…

Materials Science · Physics 2008-03-12 M. Fechner , S. Ostanin , I. Mertig

Electronic, lattice, and spin interactions at the interfaces between crystalline complex transition metal oxides can give rise to a wide range of functional electronic and magnetic phenomena not found in bulk. At hetero-interfaces, these…

Strongly Correlated Electrons · Physics 2017-08-03 S. Koohfar , A. S. Disa , M. Marshall , F. J. Walker , C. H. Ahn , D. P. Kumah

We report a study on the interface between polar high-k materials and the Si(001)-(2X1) reconstructed surface with LaAlO3 taken as a prototype material. The construction of the interface is based on the prior growth of metal lines followed…

Materials Science · Physics 2015-06-25 Isabelle Devos , Pierre Boulenc

Anionic ordering is a promising route to engineer physical properties in functional heteroanionic materials. A central challenge in the study of anion-ordered compounds lies in developing robust synthetic strategies to control anion…

The interface between the polar LaAlO$_3$ and nonpolar SrTiO$_3$ layers has been shown to exhibit various electronic and magnetic phases such as two dimensional electron gas, superconductivity, magnetism and electronic phase separation.…

Strongly Correlated Electrons · Physics 2012-08-31 A. Annadi , A. Putra , Z. Q. Liu , X. Wang , K. Gopinadhan , Z. Huang , S. Dhar , T. Venkatesan , Ariando

Variety of conducting heterointerfaces have been made between SrTiO3 substrates and thin capping layers of distinctly different oxide materials that can be classified into polar band insulators (e.g. LaAlO3), polar Mott insulators (e.g.…

Materials Science · Physics 2018-06-26 Meng Zhang , Zheng Chen , Baohua Mao , Qingtian Li , Hai Bo , Tianshuang Ren , Pimo He , Zhi Liu , Yanwu Xie

We present an ab initio study of the (001) interfaces between two insulating perovskites, the polar LaAlO3 and the nonpolar SrTiO3. We observe an insulating-to-metallic transition above a critical LaAlO3 thickness. We explain that the high…

Materials Science · Physics 2009-11-13 Hanghui Chen , Alexie M. Kolpak , Sohrab Ismail-Beigi

Epitaxial interfaces and superlattices comprised of polar and non-polar perovskite oxides have generated considerable interest because they possess a range of desirable properties for functional devices. In this work, emergent polarization…

We show that the growth of the heterostructure LaGaO3/SrTiO3 yields the formation of a highly conductive interface. Our samples were carefully analyzed by high resolution electron microscopy, in order to assess their crystal perfection and…

Interface engineering in perovskite oxide superlattices has developed into a flourishing field, enabling not only further tuning of the exceptional properties, but also giving access to emergent physical phenomena. Here, we reveal a new…

Materials Science · Physics 2015-03-13 X. Z. Lu , X. G. Gong , H. J. Xiang

Novel phenomena appear when two different oxide materials are combined together to form an interface. For example, at the interface of LaAlO3/SrTiO3, two dimensional conductive states form to avoid the polar discontinuity and magnetic…

Materials Science · Physics 2017-02-23 Fang Wang , Zhaohui Ren , He Tian , Shengyuan A. Yang , Yanwu Xie , Yunhao Lu , Jianzhong Jiang , Gaorong Han , Kesong Yang

Heteroepitaxial growth of transition-metal oxide films on the open (111) surface of SrTiO3 results in significant restructuring due to the polar mismatch. Monitoring the structural and composition on an atomic scale of LaNiO3/SrTiO3 (111)…

Materials Science · Physics 2017-04-26 Mohammad Saghayezhian , Zhen Wang , Hangwen Guo , Yimei Zhu , E. W. Plummer , Jiandi Zhang

In ABO3 perovskites, oxygen octahedron rotations are common structural distortions that can promote large ferroelectricity in BiFeO3 with an R3c structure [1], but suppress ferroelectricity in CaTiO3 with a Pbnm symmetry [2]. For many…

Materials Science · Physics 2016-04-05 Hongwei Wang , Jianguo Wen , Dean J. Miller , Qibin Zhou , Mohan Chen , Ho Nyung Lee , Karin M. Rabe , Xifan Wu

The perovskite SrTiO$_3$-LaAlO$_3$ structure has advanced to a model system to investigate the rich electronic phenomena arising at polar interfaces. Using first principles calculations and transport measurements we demonstrate that an…

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