First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO3

Theory of prospective perovskite ferroelectrics with double rocksalt order

(2011) Anindya Roy et al.   PHYSICAL REVIEW B

First-principles study of misfit strain-stabilized ferroelectric SnTiO3

(2011) William D. Parker et al.   PHYSICAL REVIEW B

Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

(2010) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Lattice, elastic, polarization, and electrostrictive properties of BaTiO3 from first-principles

(2010) J. J. Wang et al.   JOURNAL OF APPLIED PHYSICS

Ab initio calculations of phonon spectra in ATiO3 perovskite crystals (A = Ca, Sr, Ba, Ra, Cd, Zn, Mg, Ge, Sn, Pb)

(2009) A. I. Lebedev   PHYSICS OF THE SOLID STATE

First principles studies of SnTiO3 perovskite as potential environmentally benign ferroelectric material

(2008) S.F. Matar et al.   CHEMICAL PHYSICS

First-Principles Study of Lead-Free Piezoelectric SnTiO3

(2008) Yoshitaka Uratani et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb–Oxford bound

(2008) Yan Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

First principles study of structural, elastic, electronic and optical properties of the cubic perovskite BaHfO3

(2008) A. Bouhemadou et al.   PHYSICS LETTERS A