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To understand deeply the structural, elastic and thermodynamic characteristics of Al2X (X= Sc, Y) compounds in C15 type (space number 227) Cu2Mg structure, we have performed ab-initio density functional theory within the local density approximation (LDA) and the generalized gradient approximation (GGA). The thermodynamic properties of the considered structures are obtained through the quasi-harmonic Debye model. We have presented the results on the basic physical parameters, such as the lattice constant, bulk modulus, pressure derivative of bulk modulus, second-order elastic constants, Zener anisotropy factor, Poisson's ratio, Young's modulus, and isotropic shear modulus. In order to gain further information, the pressure- and temperature-dependent behaviour of the volume, bulk modulus, thermal expansion coefficient, heat capacity, entropy, Debye temperature and Gruneisen parameter were also evaluated over a pressure range of 0-20 GPa for Al2Sc and 0-17 GPa for Al2Y compound and a wide temperature range of 0-2000 K for both compounds. The obtained results were compared with the other reported values.

参考文献

[1]
[2]
[3]
[4]
[5] J.W. Ross and J. Crangle: Phys. Rev. A, 1964, 133, 509.

[2 ] M.J. McDermott and K.K. Marklund: J. Appl. Phys., 1969, 40, 1007.

[3 ] A. Ormeci, F. Chu, J.M. Wills, T.E. Mitchell, R.C. Albers, D.J. Thoma and S.P. Chen: Phys. Rev. B , 1996, 54, 12753.

[4 ] J. Roth: Phys. Rev. B, 2005, 71, 64102.

[5 ] J.J. Liu, W.J. Ren and Z.D. Zhang: J. Appl. Phys., 2006, 100, 023904.

[6 ] Z.Wu, N.L. Saini, S.I. Agrestin, D.D. Castro, A. Bianconi and A. Marcelli: J. Phys.-Condens. Matter, 2000, 12, 6971.

[7 ] N. Nagasako, A. Fukumoto and K. Miwa: Phys. Rev. B, 2002, 66, 155106.

[8 ] S. Hong and C.L. Fu: Phys. Rev. B, 2002, 66, 094109.

[9 ] H. Uchida, Y. Majsumura, H. Uchida and H. Kaneko: J. Magn. Magn. Mater., 2002, 239, 540.

[10] C.J. Liu, J.H. Zhu, M.P. Brady, C.G. Mckamey and L.M. Pike: Intermetallics, 2000, 8, 1119.

[11] A. Kumar, A.K. Mukhopadhyay and K.S. Prasad: Mater. Sci. Eng. A, 2010, 527, 854.

[12] K. Turba, P. Ma0lek and M. Cieslar: Mater. Sci. Eng. A, 2007, 462, 91.

[13] K. Venkateswarlu, L.C. Pathak, A.K. Ray, G. Das, P.K. Verma, M. Kumar and R.N. Ghos: Mater. Sci. Eng. A, 2004, 383, 374.

[14] F. Fazeli, W.J. Poole and C.W. Sinclair: Acta Mater., 2008, 56, 1909.

[15] S.S. Dmitri, V. Louzguine and A. Inoue: Appl. Phys. Lett., 2004, 85, 3758 .

[16] M. Asta and V. Ozolins: Phys. Rev. B, 2001, 64, 094104 .

[17] G. Trimarchi, A.J. Freeman and A. Zunger: Phys. Rev. B, 2009, 80, 092101.

[18] M.E. Krug, D.C. Dunand and D.N. Seidman: Appl. Phys. Lett., 2008, 92, 124107.

[19] M. Asta, S.M. Foiles and A.A. Quong: Phys. Rev. B, 1998, 57, 11265 .

[20] J.H. Xu and A.J. Freeman: Phys. Rev. B, 1990, 41, 12553.

[21] C. Woodward, M. Asta, G. Kresse and J. Hafner: Phys. Rev. B, 2001, 63, 094103.

[22] S.J. Lee, J.M. Park, P.C. Can¯
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