Understanding and tuning negative longitudinal piezoelectricity in hafnia  

作　　者：Huirong Jing Chaohong Guan Hong Zhu 

机构地区：[1]University of Michigan−Shanghai Jiao Tong University Joint Institute,Shanghai Jiao Tong University,Shanghai,200240,China

出　　处：《npj Computational Materials》2024年第1期1586-1593,共8页计算材料学(英文)

基　　金：supported by the National Natural Science Foundation of China(52072240);the Shanghai Technology Innovation Action Plan 2020-Integrated Circuit Technology Support Program(Project No.20DZ1100603).

摘　　要：Most piezoelectric materials exhibit a positive longitudinal piezoelectric effect(PLPE),while a negative longitudinal piezoelectric effect(NLPE)is rarely reported or paid much attention.Here,utilizing firstprinciples calculations,we unveil the origin of negative longitudinal piezoelectricity in ferroelectric hafnia by introducing the concept of weighted projected bond strength around cation in the c direction(WPBc),which is proposed to quantitatively characterize the asymmetric bonding stiffness along the strain direction.When the WPBc is anti-parallel to the direction of bulk spontaneous polarization,the polarization decreases with respect to tensile strain and leads to a negative piezoelectricity.

关 键 词：PIEZOELECTRIC utilizing BONDING 

分 类 号：O41[理学—理论物理]