Crossref
journal-article
Elsevier BV
Current Opinion in Solid State and Materials Science (78)
References
48
Referenced
115
10.1063/1.365983
/ J Appl Phys / Ultrahigh strain and piezoelectric behavior in relaxor based ferroelectric single crystals by Park (1997)10.1080/00018735400101173
/ Adv Phys / Theory of Ferroelectrics by Devonshire (1954)10.1103/PhysRevB.63.094108
/ Phys Rev B / Monoclinic and triclinic phases in higher-order Devonshire theory by Vanderbilt (2001)10.1038/358136a0
/ Nature / Origin of ferroelectricity in oxide ferroelectrics and the difference in ferroelectric behavior of BaTiO3 and PbTiO3 by Cohen (1992)10.1080/00150199208016067
/ Ferroelectrics / Electronic structure studies of the differences in ferroelectric behavior of BaTiO3 and PbTiO3 by Cohen (1992)10.1103/PhysRevB.49.5828
/ Phys Rev B / First-principles investigation of ferroelectricity in perovskite compounds by King-Smith (1994)10.1103/PhysRevLett.72.3618
/ Phys Rev Lett / Giant LO–TO splittings in perovskite ferroelectrics by Zhong (1994)10.1103/PhysRevB.69.144118
/ Phys Rev B / Oxide chemistry and local structure of PbZrxTi1−xO3 studied by density-functional theory supercell calculations by Grinberg (2004)10.1103/PhysRevB.70.220101
/ Phys Rev B / Local structure and macroscopic properties in PbMg1/3Nb2/3O3–PbTiO3 and PbZn1/3Nb2/3O3–PbTiO3 solid solutions by Grinberg (2004)10.1016/S1359-0286(02)00017-7
/ Curr Opin Solid State Mater Sci / Piezoelectricity of ferroelectric perovskites from first principles by Bellaiche (2002)10.1016/S0022-3697(99)00272-3
/ J Phys Chem Solids / Theory of ferroelectrics: a vision for the next decade and beyond by Cohen (2000){'key': '10.1016/j.cossms.2006.05.002_bib12', 'first-page': '168', 'article-title': 'PbTiO3 at finite temperature', 'author': 'Srinivasan', 'year': '2003'}
/ PbTiO3 at finite temperature by Srinivasan (2003)10.1016/S1359-0286(97)80013-7
/ Curr Opin Solid State Mater Sci / First-principles based modelling of ferroelectrics by Vanderbilt (1997)10.1103/PhysRev.112.90
/ Phys Rev / Theory of the dielectric constants of alkali halide crystals by Dick (1958)10.1088/0022-3719/9/6/011
/ J Phys C—Solid State Phys / Effects of polarization on some static and dynamic properties of molten Na–I by Dixon (1976)10.1088/0953-8984/5/8/005
/ J Phys—Condens Matter / Shell-model molecular-dynamics simulation of superionic conduction in CaF2 by Lindan (1993)10.1038/nature01115
/ Nature / Relationship between local structure and phase transitions of a disordered solid solution by Grinberg (2002)10.1103/PhysRevB.71.054104
/ Phys Rev B / Development of a bond-valence molecular-dynamics model for complex oxides by Shin (2005)10.1016/j.jnoncrysol.2004.08.120
/ J Non-Cryst Solids / Molecular dynamics study of amorphous InSb by Rino (2004){'key': '10.1016/j.cossms.2006.05.002_bib20', 'first-page': '45', 'article-title': 'The ReaxFF polarizable reactive force fields for molecular dynamics simulation of ferroelectrics', 'author': 'Goddard', 'year': '2002'}
/ The ReaxFF polarizable reactive force fields for molecular dynamics simulation of ferroelectrics by Goddard (2002){'key': '10.1016/j.cossms.2006.05.002_bib21', 'volume': 'vol. 2', 'author': 'Press', 'year': '1992'}
by Press (1992)10.1103/PhysRevB.52.4044
/ Phys Rev B / Structural Instabilities in KTaO3 and KNbO3 described by the nonlinear oxygen polarizability model by Sepliarsky (1995)10.1103/PhysRevB.56.566
/ Phys Rev B / Ferroelectric soft mode and relaxation behavior in a molecular-dynamics simulation of KNbO3 and KTaO3 by Sepliarsky (1997)10.1007/s002570050515
/ Z Phys B—Cond Mat / Modelling of the phase transitions sequence in KNbO3 and BaTiO3 by Tinte (1997)10.1088/0953-8984/11/48/325
/ J Phys—Condens Matter / Atomistic modelling of BaTiO3 based on first-principles calculations by Tinte (1999)10.1080/00150190008216230
/ Ferroelectrics / Order–disorder, local structure and precursor effects in BaTiO3 by Tinte (2000){'key': '10.1016/j.cossms.2006.05.002_bib27', 'first-page': '36', 'article-title': 'Development of a shell model potential for molecular dynamics for PbTiO3 by fitting first-principles results', 'author': 'Sepliarsky', 'year': '2002'}
/ Development of a shell model potential for molecular dynamics for PbTiO3 by fitting first-principles results by Sepliarsky (2002)10.1080/00150190490454882
/ Ferroelectrics / Atomistic model potential for PbTiO3 and PMN by fitting first principles results by Sepliarsky (2004)10.1063/1.1669063
/ Appl Phys Lett / Coupled displacive and order–disorder dynamics in LiNbO3 by molecular-dynamics simulation by Phillpot (2004)10.1088/0953-8984/16/20/019
/ J Phys—Condens Matter / Ferroelectric properties of BaxSr1−xTiO3 solid solutions obtained by molecular dynamics simulation by Tinte (2004)- Wu Z, Cohen RE. Generalized gradient approximation made more accurate for solids. Phys Rev Lett, in press.
10.1080/00018736000101229
/ Adv Phys / Crystal stability and the theory of ferroelectricity by Cochran (1960)10.1080/00018736100101321
/ Adv Phys / Crystal stability and the theory of ferroelectricity. 2. Piezoelectric crystals by Cochran (1961)10.1016/0038-1098(68)90571-1
/ Solid State Commun / The chain structure of BaTiO3 and KNbO3 by Comes (1968)10.1063/1.1428122
/ Appl Phys Lett / Polarization reversal in a perovskite ferroelectric by molecular-dynamics simulation by Sepliarsky (2001)10.1039/f29898500367
/ J Chem Soc—Faraday Trans / Atomistic simulation studies of technologically important oxides by Tomlinson (1989)10.1063/1.126843
/ Appl Phys Lett / Atomic-level simulation of ferroelectricity in perovskite solid solutions by Sepliarsky (2000)10.1080/00150190600695750
/ Ferroelectrics / Advances in first-principles studies of transducer materials by Asthagiri (2006)10.1063/1.121411
/ Appl Phys Lett / Long-range ferroelectric interactions in KTaO3/KNbO3 superlattice structures by Christen (1998)10.1063/1.116263
/ Appl Phys Lett / The growth and properties of epitaxial KNbO3 thin films and KNbO3/KTaO3 superlattices by Christen (1996)10.1023/A:1009994004989
/ J Electroceram / The effect of size, strain, and long-range interactions on ferroelectric phase transitions in KTaO3/KNbO3 superlattices studied by X-ray, EXAFS, and dielectric measurements by Christen (2000)10.1103/PhysRevLett.88.097601
/ Phys Rev Lett / Antiferroelectric behavior in symmetric KNbO3/KTaO3 superlattices by Sigman (2002)10.1063/1.1435826
/ J Appl Phys / Ferroelectric phase transitions and dynamical behavior in KNbO3/KTaO3 superlattices by molecular-dynamics simulation by Sepliarsky (2002)10.1007/s10853-005-2687-z
/ J Mater Sci / Order–disorder behavior in KNbO3 and KNbO3/KTaO3 solid solutions and superlattices by molecular-dynamics simulation by Phillpot (2005)10.1103/PhysRevB.72.014110
/ Phys Rev B / Surface reconstruction and ferroelectricity in PbTiO3 thin films by Sepliarsky (2005)10.1103/PhysRevB.64.235403
/ Phys Rev B / Surface effects and ferroelectric phase transitions in BaTiO3 ultrathin films by Tinte (2001)10.1103/PhysRevLett.74.960
/ Phys Rev Lett / Ferroelectric monolayer reconstruction of the SrTiO3(100) Surface by Ravikumar (1995)10.1016/S0039-6028(00)00603-8
/ Surf Sci / Semi-empirical simulations of surface relaxation for perovskite titanates by Heifets (2000)
Dates
Type | When |
---|---|
Created | 19 years, 2 months ago (June 20, 2006, 7:31 a.m.) |
Deposited | 6 years, 7 months ago (Jan. 15, 2019, 10:51 a.m.) |
Indexed | 4 days, 5 hours ago (Aug. 23, 2025, 9:10 p.m.) |
Issued | 20 years, 2 months ago (June 1, 2005) |
Published | 20 years, 2 months ago (June 1, 2005) |
Published Print | 20 years, 2 months ago (June 1, 2005) |
@article{Sepliarsky_2005, title={Atomic-level simulation of ferroelectricity in oxide materials}, volume={9}, ISSN={1359-0286}, url={http://dx.doi.org/10.1016/j.cossms.2006.05.002}, DOI={10.1016/j.cossms.2006.05.002}, number={3}, journal={Current Opinion in Solid State and Materials Science}, publisher={Elsevier BV}, author={Sepliarsky, M. and Asthagiri, A. and Phillpot, S.R. and Stachiotti, M.G. and Migoni, R.L.}, year={2005}, month=jun, pages={107–113} }