Ferroelectricity

Film

Ab Initio Study of Shear Strain Effects on Ferroelectricity at PbTiO3 Thin Films
Do Van Truong, Nguyen Tuan Huang, Takahiro Shimada and Takayuki Kitamura
Surface Science, Vol.606, Issurs 15-16, pp.1331-1339 (2012)

Local Surpression of Ferroelectricity at PbTiO3 Steps: A Density Functional Theory Study
Xiaoyuan Wang, Shogo Tomoda, Takahiro Shimada and Takayuki Kitamura
Journal of Physics, Condensed Matter, Vol.24, 045903 (2012)

First-Principles Study of Ferroelectricity At PbTiO3 Surface Steps
Takahiro Shimada, Shogo Tomoda and Takayuki Kitamura
Journal of Physics, Condensed Matter, Vol.22, Issue 35, Article number 355901 (2010)

Ab Initio Study of Ferroelectric Closure Domains in Ultrathin PbTiO3 Films
Takahiro Shimada, Shogo Tomoda and Takayuki Kitamura
Physical Review B, Vol.81, 144116 (2010)

Shell Model Potential for PbTiO3 and Its Applicability to Surfaces and Domain Walls
Takahiro Shimada, Kazuto Wakahara, Yoshitaka Umeno and Takayuki Kitamura
Journal of Physics: Condensed Matter, Vol.20, 325225 (2008)

Ab Initio DFT Study of Starin Effects on Ferroelectricity at PbTiO3 Surfaces
Yoshitaka Umeno, Takahiro Shimada, Takayuki Kitamura and Christian Elsasser
Physical Review B, Vol.74, 174111(2006)

Wire and Tube

Absence of Critical Ferroelectric Size in Ultrathin PbTiO3 Nanotubes
Takahiro Shimada, Xiaoyuan Wang, Yoshiaki Kondo and Takayuki Kitamura
Physical Review Letters, Vol.108, 067601 (2012)

Ab initio Study of Ferroelectricity in Edged PbTiO3 Nanowires under Axial Tension
Takahiro Shimada, Shogo Tomoda and Takayuki Kitamura
Physical Review B, Vol. 79, Article number 024102 (2009)

Other structures
Unusual domain evolution in semiconducting ferroelectrics: A phase field study
Jie Wang, Zheng Chen, Takahiro Shimadab, Takayuki Kitamura
Physics Letters A, Vol.377, Issues 25-27, pp.1643-1648(2013)

Role of Grain Orientation Distribution in the Ferroelectric and Ferroelastic Domain Switching of Ferroelectric Polycrystals
Jie Wang, Weilin Shu, Takahiro Shimada, Takayuki Kitamura and Tong-Yi Zhang
Acta Materialia, Vol.61, pp.6037-6049 (2013)

Direct Approach for Flexoelectricity from First-Principles Calculations: Cases for SrTiO3 and BaTiO3
Tao Xu, Jie Wang, Takahiro Shimada and Takayuki Kitamura
Journal of Physics: Condensed Matter, Vol.25, 415901 (2013)

First-Principles Study of the Interplay between Grain Boundaries and Domain Walls in Ferroelectric PbTiO3
Pavel Marton, Takahiro Shimada, Takayuki Kitamura and Christian Elsasser
Physical Review B, Vol.83, 064110 (2011)

Coexistence of Rectilinear and Vortex Polarizations at Twist Boundaries in Ferroelectric PbTiO3 from First-Principles
Takahiro Shimada, Xiaoyuan Wang, Shogo Tomoda, Pavel Martin, Chrsitian Elsasser and Takayuki Kitamura
Physical Review B, Vol.83, 094121(2011)

Ab Initio Study on Stress-Induced Domain Switching in PbTiO3
Takahiro Shimada, Yoshitaka Umeno and Takayuki Kitamura
Physical Review B, 77, 094105 (2008)

Development of Interatomic Potential for Pb(Zr,Ti)O3 Based on Shell Model
Takayuki Kitamura, Yoshitaka Umeno, Fulin Shang, Takahiro Shimada and Kazuhito Wakahara
Journal of Solid Mechanics and Materials Engineering, Vol.1, No.12, pp.1423-1431 (2007)

Feromagnetism

Film and plate

Effect of Strain on the Evolution of Magnetic Multi-Vortices in Ferromagnetic Nano-Platelets
Jie Wang, Jianwei Zhang, Takahiro Shimada, and Takayuki Kitamura
Journal of Physics: Condensed Matter, Vol.25, 226002 (2013)

First Principle Study of Nanometer-Sharp Domain Walls in Ferromagnetic Fe Monolayers under In-Plane Strain
Takahiro Shimada, Junichi Okuno, Yoshiyuki Ishii and Takayuki Kitamura
Journal of Physics: Condensed Matter, Vol.24, 095303 (2012)

Ab Initio Study of Magnetism at Iron Surface under Epitaxial In-plane Strain
Takahiro Shimada, Yoshiyuki Ishii and Takayuki Kitamura
Physical Review B, Vol.81, 134420 (2010)

Wire and tube
Chiral Selectivity of Unusual Helimagnetic Transition in Iron Nanotubes: Chirality Makes Quantum Helimagnets
Takahiro Shimada, Junichi Okuno and Takayuki Kitamura
Nano Letters, Vol.13, pp.2792-2797 (2013)

Ab Initio Study of Ferromagnetic Single-wall Nickel Nanotubes
Takahiro Shimada, Yoshiyuki Ishii and Takayuki Kitamura
Physical Review B, Vol.84, 165452(2011)

Ab Initio Study of Ferromagnetism in Edged Iron Nanowires under Axial Strain
Takahiro Shimada, Yoshiyuki Ishii and Takayuki Kitamura
Physical Review B, Vol.84, 174405 (2011)

Others

Theoretical Analysis on Electronic Properties of Zigzag-type Single-Walled Carbon Nanotubes under Radial Deformation
Yoshitaka Umeno, Takayuki Kitamura, Yoshiaki Kushima
COMPUTATIONAL MATERIALS SCIENCE Vol.30, No.3-4, pp.283-287(2004)

Metalic-Semiconducting Transition of Single-Walled Carbon Nanotubes under High Axial Strain
Yoshitaka Umeno, Takayuki Kitamura, Kazuyuki and Akihiro Kushima
Computational Materials Science, Vol.31, pp.33-41(2004)