Hybrid Hartree-Fock density functional study of charged point defects in ferroelectric PbTiO3

Emergence of ferromagnetism at a vacancy on a non-magnetic ferroelectric PbTiO3 surface: A first-principles study

(2012) Takahiro Shimada et al.   ACTA MATERIALIA

Vacancy-driven ferromagnetism in ferroelectric PbTiO3

(2012) Takahiro Shimada et al.   APPLIED PHYSICS LETTERS

Method for defect stability diagram fromab initiocalculations: A case study of SrTiO3

(2012) Amit Samanta et al.   PHYSICAL REVIEW B

Defect-Mediated Lattice Relaxation and Domain Stability in Ferroelectric Oxides

(2012) Anna V. Kimmel et al.   PHYSICAL REVIEW LETTERS

Absence of Ferroelectric Critical Size in UltrathinPbTiO3Nanotubes: A Density-Functional Theory Study

(2012) Takahiro Shimada et al.   PHYSICAL REVIEW LETTERS

Electronic and structural properties of the oxygen vacancy in BaTiO3

(2011) Minseok Choi et al.   APPLIED PHYSICS LETTERS

Coexistence of rectilinear and vortex polarizations at twist boundaries in ferroelectric PbTiO3from first principles

(2011) Takahiro Shimada et al.   PHYSICAL REVIEW B

Charged vacancies in ferroelectric PbTiO3: Formation energies, optimal Fermi region, and influence on local polarization

(2011) Yanpeng Yao et al.   PHYSICAL REVIEW B

First-principles study on ferroelectricity at PbTiO3surface steps

(2010) T Shimada et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initiostudy of ferroelectric closure domains in ultrathinPbTiO3films

(2010) Takahiro Shimada et al.   PHYSICAL REVIEW B

Complex polarization ordering inPbTiO3nanowires: A first-principles computational study

(2010) G. Pilania et al.   PHYSICAL REVIEW B

Hybrid functional studies of the oxygen vacancy inTiO2

(2010) A. Janotti et al.   PHYSICAL REVIEW B

Ab initiostudy of ferroelectricity in edgedPbTiO3nanowires under axial tension

(2009) Takahiro Shimada et al.   PHYSICAL REVIEW B

Intrinsicn-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study ofIn2O3,SnO2, and ZnO

(2009) Péter Ágoston et al.   PHYSICAL REVIEW LETTERS

First-principles study of native defects and lanthanum impurities inNaTaO3

(2008) Minseok Choi et al.   PHYSICAL REVIEW B

Ab initiostudy of stress-induced domain switching inPbTiO3

(2008) Takahiro Shimada et al.   PHYSICAL REVIEW B

Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

(2008) Fumiyasu Oba et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Ab initio study of formations of neutral vacancies in ferroelectric PbTiO3 at different oxygen atmospheres

(2007) Zhen Zhang et al.   JOURNAL OF ALLOYS AND COMPOUNDS