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Experimental And Theoretical Studies On The C15 Intermetallic Compounds MV2 (M=Zr, Hf AND Ta): Elasticity And Phase Stability

Published online by Cambridge University Press:  22 February 2011

F. Chu ,
T. E. Mitchell ,
S. P. Chen ,
M. Šob ,
R. Siegl  and
D. P. Pope
F. Chu
Affiliation:
Los Alamos National Laboratory, Los Alamos, NM 87545, U. S. A.
T. E. Mitchell
Affiliation:
Los Alamos National Laboratory, Los Alamos, NM 87545, U. S. A.
S. P. Chen
Affiliation:
Los Alamos National Laboratory, Los Alamos, NM 87545, U. S. A.
M. Šob
Affiliation:
Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Brno, Czech Republic.
R. Siegl
Affiliation:
Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA 19014, U. S. A.
D. P. Pope
Affiliation:
Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA 19014, U. S. A.
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Abstract

The phase stability of C15 HfV2 was studied by specific heat measurements. The elastic constants of C15 HfV2 were measured by the resonant ultrasound spectroscopy. Total energy and electronic structure of CI5 intermetallic compounds MV2 (M=Zr, Hf and Ta) were calculated using the linear muffin tin orbital (LMTO) method. The band structures at the X-point near the Fermi level were used to understand the anomalous shear moduli of HfV2 and ZrV2. It was found that the double degeneracy with a linear dispersion relation of electronic levels at the X-point near the Fermi surface is mainly responsible for the C15 anomalous elasticity at high temperatures. The density of states at the Fermi level and the geometry of the Fermi surface were used to explain the low temperature phase instability of C15 HfV2 and ZrV2 and the stability of C15 TaV2. The relationship between the anomalous elasticity and structural instability of C15 HfV2 and ZrV2 were also studied.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 364: Symposium L – High-Temperature Ordered Intermetallic Alloys–VI , 1994 , 1389
Copyright
Copyright © Materials Research Society 1995

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