Structural characterization and property modification for two-dimensional (001) SrTiO 3 nanosheets
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ORIGINAL ARTICLE
Structural characterization and property modification for two‑dimensional (001) SrTiO3 nanosheets Yuanbin Xue1 · Cuihuan Geng1 · Yao Guo1 Received: 11 June 2020 / Accepted: 30 July 2020 © King Abdulaziz City for Science and Technology 2020
Abstract The recent success in fabrication of free-standing perovskite oxide films, the thickness of which can be controlled at the atomic scale, breaks new ground in pursuing advanced low-dimensional materials. In this work, the structural characteristics and property modification of 2D (001) S rTiO3 nanosheets were investigated theoretically. Our results unveil that the system is subject to significant differentiation of Ti–O bonds and several competing structural phases; the properties are layer-dependent, and functionalities are more likely to emerge near the surface; the bandgap can be effectively adjusted by strain, but the in-plane strain has the opposite effect to the out-of-plane strain; electron-doping by V brings about magnetism without breaking the semiconductor nature while hole-doping by Al makes the system exhibit metallic and complex magnetic features. Our findings could partly explain the experimentally observed unusual flexibility and may be also useful to facilitate the understanding of 2D perovskite-based materials. Keywords Layer-dependent properties · Antiferro-distortion · Metallicity · Magnetism · Theoretical calculation
Introduction Current scientific interest in the search for promising lowdimensional materials shows no signs of ceasing to grow (Xiao and Liu 2019; Zhao et al. 2018). Since graphite was exfoliated into graphene (Novoselov et al. 2004), 2D materials have emerged as a new frontier in this field due to many unique advantages they have (Zhou et al. 2019), such as interesting electronic, magnetic, mechanical and optical properties (Novoselov et al. 2016; Tan et al. 2017; Xiao et al. 2012; Ren et al. 2015). Nowadays almost all traditional 2D materials have van der Waals layered structures and their membranes can be easily made from the parent bulk crystals (Birkhölzer and Koster 2019). However, this does not apply to those with strongly bound three-dimensional (3D) lattices, Electronic supplementary material The online version of this article (https://doi.org/10.1007/s13204-020-01528-2) contains supplementary material, which is available to authorized users. * Yao Guo [email protected] 1
Henan Joint International Research Laboratory of Nanocomposite Sensing Materials, Department of Chemical and Environmental Engineering, Anyang Institute of Technology, Anyang 455000, China
such as technologically useful perovskite oxides (Birkhölzer and Koster 2019). Perovskite oxides display a rich variety of useful physical effects which result from electron–electron correlations among the constituent transition-metal ions (Imada et al. 1998). However, the investigations of them have long been confined in epitaxial films grown on top of a substrate. Fortunately, Lu et al. (2016) developed a common method to prepare free-stan
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