First-Principles Theory, Coarse-Grained Models, and Simulations of Ferroelectrics
DOI: 10.1021/AR500331C
关键词: Condensed matter physics 、 Phase transition 、 Ferroelectricity 、 Non-volatile memory 、 Dielectric 、 Polarization density 、 Materials science 、 Dipole 、 Piezoelectricity 、 Electric field
摘要: … principles of construction of first-principles model Hamiltonians for ferroelectric phase transitions in perovskite … ABO 3 perovskites (see Figure 1b) is primarily structural in origin involving …
acs.org
sci-hub.se 参考文章(49)
Umesh V. Waghmare, Theory of Ferroelectricity and Size Effects in Thin Films Springer, Boston, MA. pp. 205- 231 ,(2010) , 10.1007/978-1-4419-0664-9_6
J. W. Reiner, F. J. Walker, C. H. Ahn, Atomically Engineered Oxide Interfaces Science. ,vol. 323, pp. 1018- 1019 ,(2009) , 10.1126/SCIENCE.1169058
Jaita Paul, Takeshi Nishimatsu, Yoshiyuki Kawazoe, Umesh V. Waghmare, Polarization switching in epitaxial films of BaTiO3: A molecular dynamics study Applied Physics Letters. ,vol. 93, pp. 242905- ,(2008) , 10.1063/1.3040326
Joseph W. Bennett, Kevin F. Garrity, Karin M. Rabe, David Vanderbilt, Hexagonal ABC semiconductors as ferroelectrics Physical Review Letters. ,vol. 109, pp. 167602- ,(2012) , 10.1103/PHYSREVLETT.109.167602
D. D. Fong, Ferroelectricity in Ultrathin Perovskite Films Science. ,vol. 304, pp. 1650- 1653 ,(2004) , 10.1126/SCIENCE.1098252
Huaxiang Fu, Ronald E. Cohen, Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics Nature. ,vol. 403, pp. 281- 283 ,(2000) , 10.1038/35002022
Jaita Paul, Takeshi Nishimatsu, Yoshiyuki Kawazoe, Umesh V. Waghmare, Ferroelectric phase transitions in ultrathin films of BaTiO3. Physical Review Letters. ,vol. 99, pp. 077601- ,(2007) , 10.1103/PHYSREVLETT.99.077601
N. A. Spaldin, Fundamental Size Limits in Ferroelectricity Science. ,vol. 304, pp. 1606- 1607 ,(2004) , 10.1126/SCIENCE.1099822
Ph. Ghosez, E. Cockayne, U. V. Waghmare, K. M. Rabe, Lattice dynamics of BaTiO 3 , PbTiO 3 , and PbZrO 3 : A comparative first-principles study Physical Review B. ,vol. 60, pp. 836- 843 ,(1999) , 10.1103/PHYSREVB.60.836
Nitesh Kumar, Jaysree Pan, N Aysha, Umesh V Waghmare, A Sundaresan, C N R Rao, Effect of co-substitution of nitrogen and fluorine in BaTiO3 on ferroelectricity and other properties. Journal of Physics: Condensed Matter. ,vol. 25, pp. 345901- ,(2013) , 10.1088/0953-8984/25/34/345901