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Wuhan University Journal of Natural Sciences

, Volume 3, Issue 4, pp 433–439 | Cite as

First principles study-D88 lattice stability of low-rate metalloid Ti5Si3

  • Hong Lihua
  • Ye Yiying
  • Gu Huawei
Article
  • 61 Downloads

Abstract

First principles study is reported for the band structures, site and angular momentum decomposed density of states, and the electronic charge density distributions in high-temperature structural materials D88-Ti5Si3 with the addition of low-rate metalloid: carbon, boron, nitrogen and oxygen. It shows that how the addition of metalloid atoms can stabilize Nowotny phase of Ti5Si3 from the viewpoint of the electron structure.

Key words

D88 Ti5Si3 DOS electronic seructure phase stability 

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Copyright information

© Springer 1998

Authors and Affiliations

  • Hong Lihua
    • 1
  • Ye Yiying
    • 1
  • Gu Huawei
    • 2
  1. 1.Department of Analysis and Measurement ScienceWuhan UniversityWuhanChina
  2. 2.Henan Basic and Applied Science Research InstituteZhengzhou UniversityZhengzhouChina

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