相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Structure and Properties of Functional Oxide Thin Films: Insights From Electronic-Structure Calculations
James M. Rondinelli et al.
ADVANCED MATERIALS (2011)
Structural and Dielectric Properties of SnTiO3, a Putative Ferroelectric
Thomas Fix et al.
CRYSTAL GROWTH & DESIGN (2011)
Pb-free ferroelectrics investigated with density functional theory: SnAl1/2Nb1/2O3 perovskites
Joseph W. Bennett et al.
PHYSICAL REVIEW B (2011)
Screening for high-performance piezoelectrics using high-throughput density functional theory
Rickard Armiento et al.
PHYSICAL REVIEW B (2011)
Finding Nature's Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
Geoffroy Hautier et al.
CHEMISTRY OF MATERIALS (2010)
First-principles accurate total energy surfaces for polar structural distortions of BaTiO3, PbTiO3, and SrTiO3: Consequences for structural transition temperatures
Takeshi Nishimatsu et al.
PHYSICAL REVIEW B (2010)
Goldstone-like States in a Layered Perovskite with Frustrated Polarization: A First-Principles Investigation of PbSr2Ti2O7
S. M. Nakhmanson et al.
PHYSICAL REVIEW LETTERS (2010)
First principles studies of SnTiO3 perovskite as potential environmentally benign ferroelectric material
S. F. Matar et al.
CHEMICAL PHYSICS (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Ab initio calculations of phonon spectra in ATiO3 perovskite crystals (A = Ca, Sr, Ba, Ra, Cd, Zn, Mg, Ge, Sn, Pb)
A. I. Lebedev
PHYSICS OF THE SOLID STATE (2009)
First-principles study of lead-free piezoelectric SnTiO3
Yoshitaka Uratani et al.
JAPANESE JOURNAL OF APPLIED PHYSICS (2008)
Origin of morphotropic phase boundaries in ferroelectrics
Muhtar Ahart et al.
NATURE (2008)
SrTiO3 and BaTiO3 revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals
Roman Wahl et al.
PHYSICAL REVIEW B (2008)
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
D. I. Bilc et al.
PHYSICAL REVIEW B (2008)
Suppressed dependence of polarization on epitaxial strain in highly polar ferroelectrics
Ho Nyung Lee et al.
PHYSICAL REVIEW LETTERS (2007)
Bi2ZnTiO6:: A lead-free closed-shell polar perovskite with a calculated ionic polarization of 150 μC cm-2
Matthew R. Suchomel et al.
CHEMISTRY OF MATERIALS (2006)
The giant electromechanical response in ferroelectric relaxors as a critical phenomenon
Z. Kutnjak et al.
NATURE (2006)
Asymmetric cation coordination in oxide materials:: Influence of lone-pair cations on the intra-octahedral distortion in d0 transition metals
PS Halasyamani
CHEMISTRY OF MATERIALS (2004)
Room-temperature ferroelectricity in strained SrTiO3
JH Haeni et al.
NATURE (2004)
Electronic structures of rocksalt, litharge, and herzenbergite SnO by density functional theory
A Walsh et al.
PHYSICAL REVIEW B (2004)
Structure and high-piezoelectricity in lead oxide solid solutions
B Noheda
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE (2002)
Kinetic study of the disproportionation of tin monoxide
MS Moreno et al.
SOLID STATE IONICS (2001)
Phonons and related crystal properties from density-functional perturbation theory
S Baroni et al.
REVIEWS OF MODERN PHYSICS (2001)
The origin of the electron distribution in SnO
GW Watson
JOURNAL OF CHEMICAL PHYSICS (2001)