摘要
利用LLP幺正变换、线性组合算符和变分相结合的方法,推导出Al2O3基底上单层黑磷烯中存在类氢杂质时束缚极化子的基态能量公式,并通过数值计算得到了极化子和束缚极化子基态能量随声子能量、截断波矢、库仑势的变化关系.数值计算结果表明:单层黑磷烯中极化子和束缚极化子基态能量都随声子能量的增加而减小,随截断波矢的增大而增大,且在相同的条件下,束缚极化子能量较极化子的能量低,这是因为杂质和电子之间的库仑相互作用能量是负值所致.这些结论充分说明,类氢杂质对单层黑磷烯性质的影响是非常重要的.
Lee-Low-Pines(LLP)unitary transformation,linear combination operator and variational methods were used to derive the ground state energy formula of the bound polaron in a monolayer black phosphorene on a Al2O3 substrate in the presence of hydrogen-like impurities.The change of ground state energy of polaron and bound polaron with phonon energy,cutoff wave vector and coulomb potential were obtained by numerical calculation.The numerical calculations show that the ground state energy of the polaron and bound polaron in a monolayer black phosphonene decreases with the increase of the phonon energy and increases with the increase of the cutoff wave vector in a monolayer black phosphorene.Moreover,the energy of bound polaron was lower than that of polaron under the same conditions,because the coulomb interaction energy between impurity and electron were negative.These results demonstrate that the effect of hydrogenlike impurities on the properties of monolayer black phosphorene is very important.
作者
刘佳丽
赵翠兰
李大伟
王龙
LIU Jia-li;ZHAO Cui-lan;LI Da-wei;WANG Long(College of Mathematics and Physics,Inner Mongolia University for Nationalites,Tongliao 028043,China)
出处
《内蒙古民族大学学报（自然科学版）》
2020年第2期108-113,共6页
Journal of Inner Mongolia Minzu University：Natural Sciences
基金
国家自然科学基金项目(11464034)
内蒙古自然科学基金项目(2016MS0119)。
关键词
黑磷烯
束缚极化子
基态能量
库仑势
基底
Black phosphorene
Bound polaron
Ground state energy
Coulomb potential
Substrate
作者简介
刘佳丽,内蒙古民族大学数理学院硕士研究生;通讯作者:赵翠兰。
