First-Principles Study on Elastic Properties and Electronic Structures of Ti-Based Binary and Ternary Shape Memory Alloys

Chin. Phys. Lett.

2006, Vol. 23

Issue (10): 2863-2866 DOI:

Original Articles

First-Principles Study on Elastic Properties and Electronic Structures of Ti-Based Binary and Ternary Shape Memory Alloys

TAN Chang-Long^1,2;CAI Wei¹;ZHU Jing-Chuan¹

¹School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 ²Department of Applied physics, Harbin University of Science and Technology, Harbin 150080

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TAN Chang-Long, CAI Wei, ZHU Jing-Chuan 2006 Chin. Phys. Lett. 23 2863-2866

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Abstract The elastic properties and electronic structure of B2 phase binary TiM (M=Fe, Co, Ni, Pd, Pt and Au) and ternary Ti₅₀Ni_43.75Pd_6.25, Ti₅₀Ni_43.75Cu_6.25 shape memory alloys are studied by the plane-wave psedudopotential method within the local density approximation. The elastic constants and density of states are calculated. Our calculations show that the martensitic transformation behaviour of these alloys is closely related to their elastic properties. The Ti d DOS at the Fermi level is mainly
responsible for the B2 phase stability of these alloys.

Keywords: 81.30.Kf 62.20.Dc 71.20.Be

Published: 01 October 2006

PACS:	81.30.Kf	(Martensitic transformations)
	62.20.Dc
	71.20.Be	(Transition metals and alloys)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2006/V23/I10/02863

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