| A general Mobius inversion transform formula for hcp lattices and its application |
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| 引用本文： | 李泌,李一山. A general Mobius inversion transform formula for hcp lattices and its application[J]. 中国物理, 2002, 11(4): 332-338 |
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| 作者姓名： | 李泌 李一山 |
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| 作者单位： | Department of Physics, Beijing University of Science and Technology, Beijing 100083, China;College of Applied Sciences, Beijing Polytechnic University, Beijing 100022, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant No 59771044). |
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| 摘 要： | In this paper,we present a general Mobius inversion transform formula for hcp lattices.This formula can be applied to hcp lattices with a non-ideal c/a value and to obtain the pair potential between atoms in these lattices from the cohesive energy.Also,the three-body interaction among atoms in the lattices can be taken into account in the method.This method gives a useful means to obtain interatomic interactions in the interatomic force model.The method has been applied to zinc,and the pair potential obtained is used to calculate the phonon dispersion relations for some high-symmetry directions.It is found that,by properly considering a three-body interaction,one can acquire satisfactory results.
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| 关 键 词： | 六方晶格 晶格理论 Mobius反演变换 声子色散 |
| 收稿时间： | 2001-10-08 |
A general M?bius inversion transform formula for hcp lattices and its application |
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| Li Mi and Li Yi-Shan. A general M?bius inversion transform formula for hcp lattices and its application[J]. Chinese Physics, 2002, 11(4): 332-338 |
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| Authors: | Li Mi and Li Yi-Shan |
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| Affiliation: | College of Applied Sciences, Beijing Polytechnic University, Beijing 100022, China; Department of Physics, Beijing University of Science and Technology, Beijing 100083, China |
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| Abstract: | In this paper, we present a general M?bius inversion transform formula for hcp lattices. This formula can be applied to hcp lattices with a non-ideal c/a value and to obtain the pair potential between atoms in these lattices from the cohesive energy. Also, the three-body interaction among atoms in the lattices can be taken into account in the method. This method gives a useful means to obtain interatomic interactions in the interatomic force model. The method has been applied to zinc, and the pair potential obtained is used to calculate the phonon dispersion relations for some high-symmetry directions. It is found that, by properly considering a three-body interaction, one can acquire satisfactory results. |
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| Keywords: | lattice theory interatomic potentials and forces phonon dispersions |
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