Structural phase stability of Ti{sub 3}Al under high pressure

Journal Article · Sat Mar 20 00:00:00 EST 1999 · International Journal of Modern Physics B

DOI:https://doi.org/10.1142/S0217979299000709· OSTI ID:361766

Rajagopalan, M ^[1]; Sahu, P C; Chandra Shekar, N V; Yousuf, M; Govinda Rajan, K ^[2]

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1. Anna Univ., Chennai (India). Dept. of Physics
2. IGCAR, Kalpakkam (India). Materials Science Div.

Recently, the structural stability of the high temperature structural intermetallic Ti{sub 3}Al has been investigated experimentally and a transition from the DO{sub 19} to the DO{sub 24} structure has been reported. The authors have performed band structure calculations as a function of reduced volume by tight binding linear muffin-tin orbital (TBLMTO) method to look into these transitions to understand their mechanisms in terms of its electronic structure. The mechanism of the DO{sub 19} to the DO{sub 24} structure is understood to be due to shifting of the Fermi energy into a valley in the density of states curve, thereby driving the system to a more stable structure.

• OSTI ID: 361766
• Journal Information: International Journal of Modern Physics B, Vol. 13, Issue 7; Other Information: PBD: 20 Mar 1999
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
INTERMETALLIC COMPOUNDS
TITANIUM BASE ALLOYS
ALUMINIUM ALLOYS
CRYSTAL STRUCTURE
CRYSTAL-PHASE TRANSFORMATIONS
ELECTRONIC STRUCTURE