First-principles study on elastic properties and electronic structures of Ti-based binary and ternary shape memory alloys

Chang Long Tan; Wei Cai; Jing Chuan Zhu

doi:10.1088/0256-307X/23/10/065

First-principles study on elastic properties and electronic structures of Ti-based binary and ternary shape memory alloys

Chang Long Tan
, Wei Cai^*
, Jing Chuan Zhu

^*Corresponding author for this work

Harbin Institute of Technology
Harbin University of Science and Technology

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

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.

Original language	English
Article number	065
Pages (from-to)	2863-2866
Number of pages	4
Journal	Chinese Physics Letters
Volume	23
Issue number	10
DOIs	https://doi.org/10.1088/0256-307X/23/10/065
State	Published - 1 Oct 2006
Externally published	Yes

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10.1088/0256-307X/23/10/065

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title = "First-principles study on elastic properties and electronic structures of Ti-based binary and ternary shape memory alloys",

abstract = "The elastic properties and electronic structure of B2 phase binary TiM (M ≤ Fe, Co, Ni, Pd, Pt and Au) and ternary Ti50Ni 43.75Pd6.25, Ti50Ni43.75Cu 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.",

author = "Tan, \{Chang Long\} and Wei Cai and Zhu, \{Jing Chuan\}",

year = "2006",

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doi = "10.1088/0256-307X/23/10/065",

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T1 - First-principles study on elastic properties and electronic structures of Ti-based binary and ternary shape memory alloys

AU - Tan, Chang Long

AU - Cai, Wei

AU - Zhu, Jing Chuan

PY - 2006/10/1

Y1 - 2006/10/1

N2 - The elastic properties and electronic structure of B2 phase binary TiM (M ≤ Fe, Co, Ni, Pd, Pt and Au) and ternary Ti50Ni 43.75Pd6.25, Ti50Ni43.75Cu 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.

AB - The elastic properties and electronic structure of B2 phase binary TiM (M ≤ Fe, Co, Ni, Pd, Pt and Au) and ternary Ti50Ni 43.75Pd6.25, Ti50Ni43.75Cu 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.

UR - https://www.scopus.com/pages/publications/33749380635

U2 - 10.1088/0256-307X/23/10/065

DO - 10.1088/0256-307X/23/10/065

M3 - 文章

AN - SCOPUS:33749380635

SN - 0256-307X

VL - 23

SP - 2863

EP - 2866

JO - Chinese Physics Letters

JF - Chinese Physics Letters

IS - 10

M1 - 065

ER -

First-principles study on elastic properties and electronic structures of Ti-based binary and ternary shape memory alloys

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