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Electronic,Elastic and Piezoelectric Properties of Two-Dimensional Group-Ⅳ Buckled Monolayers

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【Author】 Jing Shi;Yong Gao;Xiao-Li Wang;Si-Ning Yun;MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter,Xi’an Jiaotong University;Functional Materials Laboratory, School of Materials and Mineral Resources,Xi’an University of Architecture and Technology;

【机构】 MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter,Xi’an Jiaotong University； Functional Materials Laboratory, School of Materials and Mineral Resources,Xi’an University of Architecture and Technology；

【摘要】 Electronic, elastic and piezoelectric properties of two-dimensional（2 D） group-IV buckled monolayers（GeSi, SnSi and SnGe） are studied by first principle calculations. According to our calculations, SnSi and SnGe are good 2 D piezoelectric materials with large piezoelectric coefficients. The values of d₁₁ of SnSi and SnGe are 5.04 pm/V and 5.42 pm/V, respectively, which are much larger than 2 D MoS₂（3.6 pm/V） and are comparable with some frequently used bulk materials（e.g., wurtzite AIN 5.1 pm/V）. Charge transfer is calculated by the Lowdin analysis and we find that the piezoelectric coefficients(d₁₁ and d₃₁) are highly dependent on the polarizabilities of the anions and cations in group-IV monolayers.更多还原

【Abstract】 Electronic, elastic and piezoelectric properties of two-dimensional（2 D） group-IV buckled monolayers（GeSi, SnSi and SnGe） are studied by first principle calculations. According to our calculations, SnSi and SnGe are good 2 D piezoelectric materials with large piezoelectric coefficients. The values of d₁₁ of SnSi and SnGe are 5.04 pm/V and 5.42 pm/V, respectively, which are much larger than 2 D MoS₂（3.6 pm/V） and are comparable with some frequently used bulk materials（e.g., wurtzite AIN 5.1 pm/V）. Charge transfer is calculated by the Lowdin analysis and we find that the piezoelectric coefficients(d₁₁ and d₃₁) are highly dependent on the polarizabilities of the anions and cations in group-IV monolayers.更多还原

【关键词】 piezoelectric； comparable； fitting； dimensionality； dimensions； applying； relaxed； buckling； directions； hexagonal；

【基金】 Supported by the National Natural Science Foundation of China under Grant No 51672208;the National Science and Technology Pillar Program during the Twelfth Five-Year Plan Period under Grant No 2012BAD47B02;the Sci-Tech Research and Development Program of Shaanxi Province under Grant Nos 2010K01-120,2011JM6010 and 2015JM5183;the Shaanxi Provincial Department of Education under Grant No 2013JK0927;the SRF for ROCS of SEM

【文献出处】 Chinese Physics Letters ,中国物理快报(英文版) , 编辑部邮箱 ,2017年08期

【分类号】O469
【被引频次】2
【下载频次】9

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