High temperature and pressure effects on the elastic properties
of B2 intermetallics AgRE

• Authors: Lili Liu , Xiaozhi Wu , Weiguo Li , Rui Wang , Qing Liu
• Languages of publication: EN

Abstracts

EN

The high temperature and pressure effects on the
elastic properties of the AgRE (RE=Sc, Tm, Er, Dy, Tb) intermetallic
compounds with B2 structure have been performed
from first principle calculations. For the temperature
range 0-1000 K, the second order elastic constants
for all the AgRE intermetallic compounds follow a normal
behavior: they decrease with increasing temperature. The
pressure dependence of the second order elastic constants
has been investigated on the basis of the third order elastic
constants. Temperature and pressure dependent elastic
anisotropic parameters A have been calculated based
on the temperature and pressure dependent elastic constants.

Keywords

EN

rare-earth intermetallics; elastic properties; temperature; pressure; first principles calculation

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2015
• Volume: 13
• Issue: 1

Dates

online

2 - 2 - 2015

received

26 - 11 - 2014

accepted

5 - 12 - 2014

Contributors

author

Lili Liu

• College of Physics and Institute
  for Structure and Function, Chongqing University, 401331, P.R.
  China

author

Xiaozhi Wu

• College of Physics and Institute
  for Structure and Function, Chongqing University, 401331, P.R.
  China
• College of Materials Science and Engineering,
  Chongqing University, 400044, P.R. China

author

Weiguo Li

• College of Aerospace Engineering, Chongqing University,
  400044, P.R. China

author

Rui Wang

• College of Physics and Institute
  for Structure and Function, Chongqing University, 401331, P.R.
  China

author

Qing Liu

• College of Physics and Institute
  for Structure and Function, Chongqing University, 401331, P.R.
  China

References

• [1] P. Lazar, R. Podloucky. Phys. Rev. B 73, 104114 (2006)[Crossref]
• [2] P. Gumbsch, R. Schroll. Intermetallics 7, 447 (1999)[Crossref]
• [3] A.M. Russell, Adv. Eng. Mater. 5, 620 (2003)
• [4] K.A. Gschneidner et al., Nature Mater. 2, 587 (2003)[Crossref]
• [5] P. Villars, L.D. Calvert, Pearson’s Handbook of CrystallographicData for Intermetallic Phases, vol. 1-4 (ASM International, MaterialsPark, OH, USA, 1985)
• [6] G. Cacciamani, S. De Negri, A. Saccone, R. Ferro, Intermetallics11, 1135 (2003)[Crossref]
• [7] J.R. Morris, Y. Ye, Y.B. Lee, B.N. Harmon, K.A. Jr. Gschneidner, A.M.Russell, Acta Mater. 52, 4849 (2004)[Crossref]
• [8] A.M. Russell et al., Acta. Mater. 52, 4033 (2004)[Crossref]
• [9] Q. Chen, S.B. Biner, Acta. Mater. 53, 3215 (2005)[Crossref]
• [10] Z. Zhang, A.M. Russell, S.B. Biner, K.A. Jr. Gschneidner, C.C.H.Lo, Intermetallics 13, 559 (2005)[Crossref]
• [11] X.M. Tao, Y.F. Quyang, H.S. Liu, F.J. Zeng, Y.P. Feng, Z.P. Jin, Comput.Mater. Sci. 40, 226 (2007)[Crossref]
• [12] Y.R. Wu, W.Y. Hu, S.C. Han, Phys. B 403, 3792 (2008)
• [13] S. Xie, A.M. Russell, A.T. Becker, K.A. Jr. Gschneidner, Scr.Mater.58, 1066 (2008)
• [14] X.Z. Wu, S.F. Wang, R.P. Liu, Chin. Phys. B 18, 2905 (2009)[Crossref]
• [15] R. Wang, S.F. Wang, X.Z. Wu, Y. Yao, Phys. B 406, 3951 (2011)
• [16] X.M. Tao, H.M. Chen, X.X. Li, Y.F. Quyang, S.Z. Liao, Phys. Scr.83, 045301 (2011)[Crossref]
• [17] O. Gülsern, R.E. Cohen, Phys. Rev. B 65, 064103 (2002)[Crossref]
• [18] C. Bercegeay, S. Bernard, Phys. Rev. B 72, 214101 (2005)[Crossref]
• [19] T. Gressmann et al., Acta Mater. 55, 5833 (2007)[Crossref]
• [20] S. Ganeshan, S.L. Shang, Y.Wang, Z.K. Liu, ActaMater. 57, 3876(2009)
• [21] D.E. Kim, S.L. Shang, Z.K. Liu, Comput.Mater. Sci. 47, 254 (2009)[Crossref]
• [22] S.L. Shang, G. Sheng, Y. Wang, L.Q. Chen, Z.K. Liu, Phys. Rev. B80, 052102 (2009)[Crossref]
• [23] J.X. Zhang et al., J. Appl. Phys. 101, 114105 (2007)[Crossref]
• [24] S. Baroni, P. Giannozzi, A. Testa, Phys. Rev. Lett. 59, 2662 (1987)[Crossref]
• [25] D.R. Hamann, X.F.Wu, K.M. Rable, D. Vanderbilt, Phys. Rev. B 71,035117 (2005)[Crossref]
• [26] X. Wu, D. Vanderbilt, D.R. Hamann, Phys. Rev. B 72, 035105(2005)[Crossref]
• [27] D. Orlikowski, P. Söderlind, J.A. Moriarty, Phys. Rev. B 74,054109 (2006)[Crossref]
• [28] Y. Wang et al., J. Phys.:Condens. Matter 22, 225404 (2010)[Crossref]
• [29] S.L. Shang, H. Zhang, Y. Wang, Z.K. Liu, J. Phys.: Condens. Matter22, 375403 (2010)[Crossref]
• [30] Y. Hiki, Annu. Rev. Mater. Sci. 11, 51 (1981)[Crossref]
• [31] X.D. Zhang, Z.Y. Jiang, B. Zhou, Z.F. Hou, Y.Q. Hou, Chin. Phys.Lett. 28, 076201 (2011)[Crossref]
• [32] P.N. Keating, Phys. Rev. 145, 637 (1966)[Crossref]
• [33] P.N. Keating, Phys. Rev. 149, 674 (1966)[Crossref]
• [34] T. Caˇgin, J.R. Ray, Phys. Rev. B 38, 7940 (1988)[Crossref]
• [35] T. Caˇgin, B.M. Pettitt, Phys. Rev. B 39, 12484 (1989)[Crossref]
• [36] O.H. Nielsen, R.M. Martin. Phys. Rev. B 32, 3792 (1985)[Crossref]
• [37] O.H. Nielsen, Phys. Rev. B 34, 5808 (1986)[Crossref]
• [38] O.H. Nielsen, R.M. Martin, Phys. Rev. B 32, 3780 (1985)[Crossref]
• [39] M. Łopuszynski, J.A. Majewski, Phys. Rev. B 76, 045202 (2007)[Crossref]
• [40] J.J. Zhao, J.M.Winey, Y.M. Gupta, Phys. Rev. B 75, 094105 (2007)[Crossref]
• [41] H. Wang, M. Li, Phys. Rev. B 79, 224102 (2009)[Crossref]
• [42] R. Wang, S.F. Wang, X.Z. Wu, Y. Yao, A.P. Liu, Intermetallics 18,2472 (2010)[Crossref]
• [43] D.C. Wallace, In: F. Seitz, D. Turnbull (Eds.), Solid State PhysicsVol. 25, (Academic, New York, 1970 ) 301
• [44] R.N. Thurston, In: W.P. Mason, R.N. Thurston (Eds.), PhysicalAcoustics Principles and Methods Vol. 1A (Academic, New York,1964) 1[Crossref]
• [45] P. Vinet, J.H. Rose, J. Ferrante, J.R. Smith, J. Phys.: Condens.Matter1, 1941 (1989)[Crossref]
• [46] G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993)[Crossref]
• [47] G. Kresse, J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996)[Crossref]
• [48] G. Kresse, J. Furthmüller, Phys. Rev. B 54, 11169 (1996)[Crossref]
• [49] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865(1996)[Crossref]
• [50] P.E. Blöchl, Phys. Rev. B 50, 17953 (1994)[Crossref]
• [51] A. Togo, F. Oba, I. Tanaka, Phys. Rev. B 78, 134106 (2008)[Crossref]
• [52] M. Giraud, P. Morin, J. Magn. Magn. Mater. 58, 135 (1986)[Crossref]
• [53] P. Morin, J. Magn. Magn. Mater. 71, 151 (1988)[Crossref]
• [54] J.R. Neighbours, G.A. Alers, Phys. Rev. 111, 707 (1958)[Crossref]
• [55] C.A. Swenson, J. Phys. Chem. Solids 29, 1337 (1968)[Crossref]
• [56] E.F. Wasserman, In: K.H.J. Bushow, E.P. Wohlfarth (Eds.), FerromagneticMaterials (Elsevier Science, Amsterdam, 1990) 238
• [57] O.L. Anderson, D.G. Isaak, In: T.J. Ahrens (Ed.) Mineral Physicsand Crystallography: A Handbook of Physical Constants (TheAmerican Geophysical Union, Washington, 1995) 64
• [58] J.F. Nye, Physiccal Properties of crystals (Clarendon Press, Oxford,1964)
• [59] S.P. Łepkowski, J.A. Majewski, G. Jurczak, Phys. Rev. B 72,245201 (2005)[Crossref]

Identifiers

DOI

10.1515/phys-2015-0019