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Graduate School of Engineering/Department of Mechanical Engineering and Science /
Materials Science Laboratory

Simulation

Multi-ferroics in nanometer scale materials


Hybrid Hartree-Fock Density Functional Study of Charged Point Defects in Ferroelectric PbTiO3
Takahiro Shimada, Taku Ueda, Jie Wang, and Takayuki Kitamura
Physical Review B, Vol.87, 174111 (2013)

Emergence of Ferromagnetism at a Vacancy on a Non-magnetic Ferroelectric PbTiO3 Surface: A First-principles Study
Takahiro Shimada, Yoshitaka Uratani and Takayuki Kitamura
Acta Materialia, Vol.60, pp.6322-6330 (2012)

Strain-Induced Phase Transition in Multiferroic BiFeO3 (110)c Epitaxial Film
Takahiro Shimada, Kon Arisue and Takayuki Kitamura
Physics Letters A, Vol.376, pp.3368-3371 (2012)

Vacancy-driven Ferromagnetism in Ferroelectric PbTiO3
Takahiro Shimada, Yoshitaka Uratani and Takayuki Kitamura
Applied Physics Letters, Vol.100, 162901 (2012)

Ab Initio Study of Spin-Spiral Noncollinear Magnetism in a Free-Standing Fe(110) Monolayer under In-Plane Strain
Takahiro Shimada, Junichi Okuno and Takayuki Kitamura
Physical Review B, Vol.85, 134440 (2012)