中国物理B ›› 1999, Vol. 8 ›› Issue (11): 801-807.doi: 10.1088/1004-423X/8/11/001

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THEORETICAL CALCULATION ON THE PAIR POTENTIALS BETWEEN LIGHT RARE-EARTH METALLIC ATOMS

杨仕清, 张文旭, 龚捷, 张万里, 王豪才   

  1. Institute of Information Materials Engineering, University of Electronic Science and Technology of China, Chengdu 610054, China
  • 收稿日期:1999-01-12 修回日期:1999-05-12 出版日期:1999-11-15 发布日期:2005-06-29
  • 基金资助:
    Project supported by the National Defence Foundation of Preresearch, China (Grant No. 97J12.1.7DZ0250).

THEORETICAL CALCULATION ON THE PAIR POTENTIALS BETWEEN LIGHT RARE-EARTH METALLIC ATOMS

YANG SHI-QING (杨仕清), ZHANG WEN-XU (张文旭), GONG JIE (龚捷), ZHANG WAN-LI (张万里), WANG HAO-CAI (王豪才)   

  1. Institute of Information Materials Engineering, University of Electronic Science and Technology of China, Chengdu 610054, China
  • Received:1999-01-12 Revised:1999-05-12 Online:1999-11-15 Published:2005-06-29
  • Supported by:
    Project supported by the National Defence Foundation of Preresearch, China (Grant No. 97J12.1.7DZ0250).

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摘要： In order to calculate the pair potentials between light rare-earth metallic atoms with double hexagonal close-packed (dhcp) crystal structure, a M?bius inversion transform formula for the dhcp structure is proposed. The pair potentials for the light rare-earth atoms are calculated by this formula. These pair potentials are fitted to the analytic Morse-type potential expressions.

Abstract: In order to calculate the pair potentials between light rare-earth metallic atoms with double hexagonal close-packed (dhcp) crystal structure, a M$\ddot{\rm o}$bius inversion transform formula for the dhcp structure is proposed. The pair potentials for the light rare-earth atoms are calculated by this formula. These pair potentials are fitted to the analytic Morse-type potential expressions.

中图分类号:  (Elemental solids)

  • 61.66.Bi
61.50.Lt (Crystal binding; cohesive energy)