Advances in First-Principles Studies of Transducer Materials

References

• Park , S. E. and Shrout , T. R. 1997 . Ultrahigh strain and piezoelectric behavior in relaxor based ferroelectric single crystals . Journal of Applied Physics , 82 : 1804 – 1811 . [CSA]
   Web of Science ®Google Scholar
• Ye , Z. G. 1998 . Relaxor Ferroelectric Complex Perovskites: Structure, Properties and Phase Transitions . Key Engineering Materials , 155–156 : 81 – 122 . [CSA]
   Google Scholar
• Fu , H. and Cohen , R. E. 2000 . Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics . Nature , 403 : 281 – 283 . [INFOTRIEVE] [CSA] [CROSSREF]
   PubMed Web of Science ®Google Scholar
• Blinc , R. and Pirc , R. 1999 . Spherical random-bond-random-field model of relaxor ferroelectrics . Phys. Rev. B , 60 : 13470 – 13478 . [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• Bokov , A. A. and Ye , Z. G. Recent progress in relaxor ferroelectrics with perovskite structure . J. Mater. Sci. , in press, [CSA]
   Web of Science ®Google Scholar
• Choudhury , N. , Wu , Z. G. , Walter , E. J. and Cohen , R. E. 2005 . Ab initio linear response and frozen phonons for the relaxor PbMg1/3Nb2/3O3 . Phys. Rev. B , 71 : 125134 [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• Choudhury , N. , Cohen , R. E. and Walter , E. J. 2005 . First principles studies of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3) . Computational Materials Science , in press[CSA]
   Web of Science ®Google Scholar
• Prosandeev , S. A. , Cockayne , E. , Burton , B. P. , Kamba , S. , Petzelt , J. , Yuzyuk , Y. , Katiyar , R. S. and Vakhrushev , S. B. 2004 . Lattice dynamics in PbMg1/3Nb2/3O3 . Phys. Rev. B , 70 : 134110 [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• Wu , Z. G. and Cohen , R. E. 2005 . Pressure-induced anomalous phase transitions and colossal enhancement of piezoelectricity in PbTiO3 . Phys. Rev. Lett. , 95 : 37601 [CSA] [CROSSREF]
   PubMed Web of Science ®Google Scholar
• Sepliarsky , M. , Phillpot , S. , Wolf , D. , Stachiotti , M. and Migoni , R. 2000 . Atomic-level simulation of ferroelectricity in perovskite solid solutions . Appl. Phys. Lett. , 76 : 3986 – 3988 . [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• Sepliarsky , M. and Cohen , R. E. 2002 . “ Development of a shell model potential for molecular dynamics for PbTiO3 by fitting first-principles results ” . Fundamental Physics of Ferroelectrics 2002 Edited by: Cohen , R. E. 36 – 44 . Melville , NY : AIP .
   Google Scholar
• Press , W. H. , Teukolsky , S. A. , Vetterling , W. T. and Flannery , B. P. 1992 . Numerical Recipes in Fortran 77: The Art of Scientific Computing , New York : Cambridge University Press .
   Google Scholar
• DL_POLY is a parallel molecular dynamics simulation package developed at Darebury Laboratory by W. Smith and Forester T. R. under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases (CCP5) and the Advanced Research Computing Group (ARCG) at Daresbury Laboratory. The package is the property of Daresbury Laboratory. http://www.cse.clrc.ac.uk/msi/software/DL_POLY/
   Google Scholar
• Sanjurjo , J. A. , Lopez-Cruz , E. and Burns , G. 1983 . High-pressure Raman study of zone-center phonons in PbTiO3 . Phys. Rev. B , : 28 [CSA]
   Web of Science ®Google Scholar
• Akbas , M. A. and Davies , P. K. 2000 . Thermally induced coarsening of the chemically ordered domains in Pb(Mg1/3Nb2/3)O3 (PMN)-based relaxor ferroelectrics . Journal of the American Ceramic Society , 83 : 119 – 123 . [CSA]
   Web of Science ®Google Scholar
• Jeong , I. K. , Darling , T. W. , Lee , J. K. , Proffen , T. , Heffner , R. H. , Park , J. S. , Hong , K. S. , Dmowski , W. and Egami , T. 2005 . Direct observation of the formation of polar nanoregions in Pb(Mg1/3Nb2/3)O3 using neutron pair distribution function analysis . Phys. Rev. Lett. , 94 : 147602 [INFOTRIEVE] [CSA] [CROSSREF]
   PubMed Web of Science ®Google Scholar
• Kreisel , J. , Dkhil , B. , Bouvier , P. and Kiat , J. M. 2002 . Effect of high pressure on relaxor ferroelectrics . Physical Review B , 65 : 172101 [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• Noheda , B. , Cox , D. E. , Shirane , G. , Gao , J. and Ye , Z. G. 2002 . Phase diagram of the ferroelectric relaxor (1-x)PbMg1/3Nb2/3O3-xPbTiO3 . Phys. Rev. B , 66 : 054104 [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• La-Orauttapong , D. , Noheda , B. , Ye , Z. G. , Gehring , P. M. , Toulouse , J. , Cox , D. E. and Shirane , G. 2002 . Phase diagram of the relaxor ferroelectric (1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3 . Phys. Rev. B , 65 : 4101 [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• Vanderbilt , D. and Cohen , M. H. 2001 . Monoclinic and triclinic phases in higher-order Devonshire theory . Phys. Rev. B , 63 : 94108 – 94117 . [CSA] [CROSSREF]
   Web of Science ®Google Scholar
• Wu , Z. and Cohen , R. E. Generalized Gradient Approximation Made More Accurate for Solids http://xxx.lanl.gov/abs/cond-mat/0508004
   Google Scholar
• Perdew , J. P. , Burke , K. and Ernzerhof , M. 1996 . Generalized gradient approximation made simple . Phys. Rev. Lett. , 77 : 3865 – 3868 . [INFOTRIEVE] [CSA] [CROSSREF]
   PubMed Web of Science ®Google Scholar
• Wu , Z. , Cohen , R. E. and Singh , D. J. 2004 . Comparing the weighted density approximation with the LDA and GGA for ground state properties of ferroelectric perovskites . Phys. Rev. B , 70 : 104112 [CSA] [CROSSREF]
   Web of Science ®Google Scholar