Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Polar Nitride Perovskite LaWN3‐δ with Orthorhombic Structure
Nitride perovskite LaWN3 has been predicted to be a promising ferroelectric material with unique properties for diverse applications. However, due to the challenging sample preparation at ambient pressure, the crystal structure of this nitride remains unsolved, which results in many ambiguities in its properties. Here, the authors report a comprehensive study of LaWN3 based on high‐quality samples synthesized by a high‐pressure method, leading to a definitive resolution of its crystal structure involving nitrogen deficiency. Combined with theoretical calculations, these results show that LaWN3 adopts an orthorhombic Pna21 structure with a polar symmetry, possessing a unique atomic polarization along the c‐axis. The associated atomic polar distortions in LaWN3 are driven by covalent hybridization of W: 5d and N: 2p orbitals, opening a direct bandgap that explains its semiconducting behaviors. The structural stability and electronic properties of this nitride are also revealed to be closely associated with its nitrogen deficiency. The success in unraveling the structural and electronic ambiguities of LaWN3 would provide important insights into the structures and properties of the family of nitride perovskites.
Polar Nitride Perovskite LaWN3‐δ with Orthorhombic Structure
Nitride perovskite LaWN3 has been predicted to be a promising ferroelectric material with unique properties for diverse applications. However, due to the challenging sample preparation at ambient pressure, the crystal structure of this nitride remains unsolved, which results in many ambiguities in its properties. Here, the authors report a comprehensive study of LaWN3 based on high‐quality samples synthesized by a high‐pressure method, leading to a definitive resolution of its crystal structure involving nitrogen deficiency. Combined with theoretical calculations, these results show that LaWN3 adopts an orthorhombic Pna21 structure with a polar symmetry, possessing a unique atomic polarization along the c‐axis. The associated atomic polar distortions in LaWN3 are driven by covalent hybridization of W: 5d and N: 2p orbitals, opening a direct bandgap that explains its semiconducting behaviors. The structural stability and electronic properties of this nitride are also revealed to be closely associated with its nitrogen deficiency. The success in unraveling the structural and electronic ambiguities of LaWN3 would provide important insights into the structures and properties of the family of nitride perovskites.
Polar Nitride Perovskite LaWN3‐δ with Orthorhombic Structure
Zhou, Xuefeng (Autor:in) / Xu, Wenwen (Autor:in) / Gui, Zhigang (Autor:in) / Gu, Chao (Autor:in) / Chen, Jian (Autor:in) / Xie, Jianyu (Autor:in) / Yao, Xiaodong (Autor:in) / Dai, Junfeng (Autor:in) / Zhu, Jinlong (Autor:in) / Wu, Liusuo (Autor:in)
Advanced Science ; 10
01.07.2023
8 pages
Aufsatz (Zeitschrift)
Elektronische Ressource
Englisch
Field Emission Characteristics of Orthorhombic Boron Nitride Films
| British Library Online Contents | 2008
Layer Structure Growth of Orthorhombic Boron Nitride Thin Films by RF-PEPLD
| British Library Online Contents | 2008
Effective mass and optical properties of orthorhombic Al1−xInxFeO3 perovskite: An ab-initio study
| British Library Online Contents | 2019
| British Library Online Contents | 2007
Model structure of perovskites: cubic-orthorhombic phase transition
| British Library Online Contents | 2002