典型文献
Physical Properties of Si2Ge and SiGe2 in Hexagonal Symmetry:First-Principles Calculations
文献摘要：
We predict two novel group 14 element alloys Si2Ge and SiGe2 in P6222 phase in this work through first-principles calculations.The structures,stability,elastic anisotropy,electronic and thermodynamic properties of these two proposed alloys are investigated systematically.The proposed P6222-Si2Ge and P6222-SiGe2 have a hexagonal symmetry structure,and the phonon dispersion spectra and elastic constants indicate that these two alloys are dynamically and mechanically stable at ambient pressure.The elastic anisotropy properties of P6222-Si2Ge and P6222-SiGe2 are examined elaborately by illustrating the surface constructions of Young's modulus,the contour surfaces of shear modulus,and the directional dependence of Poisson's ratio;the differences with their corresponding group 14 element allotropes P6222-Si3 and P6222-Ge3 are also discussed and compared.Moreover,the Debye temperature and sound velocities are analyzed to study the thermodynamic properties of the proposed P6222-Si2Ge and P6222-SiGe2.
文献关键词：
中图分类号：
作者姓名：
Ying-bo Zhao;Shi-xuan Lin;Qing-yang Fan;Qi-dong Zhang
作者机构：
School of Mechanical and Electrical Engineering,Xi'an University of Architecture and Technology,Xi'an 710055,China;School of Information and Control Engineering,Xi'an University of Architecture and Technology,Xi'an 710055,China;School of Microelectronics,Xidian University,Xi'an 710071,China
文献出处：
引用格式：
[1]Ying-bo Zhao;Shi-xuan Lin;Qing-yang Fan;Qi-dong Zhang-.Physical Properties of Si2Ge and SiGe2 in Hexagonal Symmetry:First-Principles Calculations)[J].化学物理学报（英文版）,2022(03):551-561
A类：
Si2Ge,SiGe2,P6222,Ge3
B类：
Physical,Properties,Hexagonal,Symmetry,First,Principles,Calculations,We,predict,two,novel,group,element,alloys,phase,this,work,through,first,principles,calculations,structures,stability,elastic,anisotropy,electronic,thermodynamic,properties,these,proposed,investigated,systematically,have,hexagonal,symmetry,phonon,dispersion,spectra,constants,indicate,that,dynamically,mechanically,stable,ambient,pressure,examined,elaborately,illustrating,constructions,Young,modulus,contour,surfaces,shear,directional,dependence,Poisson,ratio,differences,their,corresponding,allotropes,Si3,also,discussed,compared,Moreover,Debye,temperature,sound,velocities,analyzed,study
AB值：
0.4946
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