Pressure and doping dependent elastic and thermodynamical properties of Ga{sub 1-x}In{sub x}P mixed valent compounds
- School of Physics, Vigyan Bhawan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India)
- Department of Physics, M.B. Khalsa College, Indore 452002 (India)
Using a phenomenological lattice model incorporating the long-range Coulomb and charge transfer caused by the deformation of the electron shells of the overlapping ions and the Hafemeister and Flygare type short-range overlap repulsion extended upto the second neighbor ions and the van der Waals (vdW) interaction, we present a comprehensive study to understand the effects of pressure on the elastic behavior as ductility (brittleness) and thermodynamical properties of Ga{sub 1-x}In{sub x}P. Estimated phase-transition pressure and the vast volume discontinuity in pressure-volume phase diagram confirm the structural phase transition from zinc blende (B3) to rock salt (B1) phase. From the elastic constants the Poisson's ratio {nu}, the ratio R{sub S/B} of S (Voigt averaged shear modulus) over B (bulk modulus), elastic wave velocity, average wave velocity and thermodynamical property Debye temperature is calculated. The Poisson's ratio {nu} and the ratio R{sub S/B} allows one to conclude that Ga{sub 1-x}In{sub x}P is brittle in zinc blende (B3) and ductile nature is inferred in sodium chloride (B1) phase. To our knowledge this is the first quantitative theoretical prediction of the doping and pressure dependent elastic properties for mixed valent Ga{sub 1-x}In{sub x}P compounds and still awaits experimental confirmations.
- OSTI ID:
- 22207343
- Journal Information:
- Materials Research Bulletin, Vol. 45, Issue 8; Other Information: Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0025-5408
- Country of Publication:
- United States
- Language:
- English
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