Prof. Oda's Group

Research Achievement

Press release

List of Publications

The list in chronological order is here

List in field

(1) First-Principles Molecular-Dynamics of Noncollinear Magnetism
(2) First-Principles Molecular-Dynamics of Liquid Oxygen
(3) Atomic, Magnetic and Electronic Structure of Magnetism Cluster
(4) Electronic Structure and Magnetism of Biomolecule Cluster
(5) Development of Tight-Binding Molecular-Dynamics Simulation
(6) Molecule-Dynamics and Cluster
(7) First-Principles Study under High Pressure Condition
(8) Solid State Physics
(9) Magnetic Anisotropy
(10) Surface Electronic Structure
(11) Carbon Material
(12) van der Waals Spin Density Functional Theory
(13) ab initio Logarithmic Mean Force Dynamics
　　(Development of ab initio Approach to Calculate Free-Energy）
(14) High-pressure Crystal Structure Prediction,
　　 using Evolutionary Algorithm Simulation
(15) Ferromagnetic Shape Memory Alloy
(16) First-Principles Study under External Magnetic Field

(1) First-Principles Molecular-Dynamics of Noncollinear Magnetism

T. Oda, A. Pasquarello and R. Car, Fully Unconstrained Approach to Noncollinear Magnetism: Application to Small Fe Clusters, Phys. Rev. Lett. 80 (1998) 3622-3625. DOI: http://dx.doi.org/10.1103/PhysRevLett.80.3622
T. Oda, Metallic Car-Parrinello Dynamics, J. Phys. Soc. Jpn., 71, (2002) 519-524. DOI: http://dx.doi.org/10.1143/JPSJ.71.519
S. Kawamoto, T. Oda and I. Hamada, Association Simulation by a Metallic Car-Parrinello Dynamics, Int. J. Quantum Chem., 91 (2003) 165-170. DOI: http://dx.doi.org/10.1002/qua.10454
T. Oda and A. Hosokawa, Fully Relativistic Two-Component-Spinor Approach in the Ultra-Soft-Pseudopotential Planewave Method, Phys. Rev. B, 72 (2005) 224428(1-4). DOI: http://dx.doi.org/10.1103/PhysRevB.72.224428
A. Hosokawa, M. Tsujikawa, H. Shiroishi and T. Oda, Development of Fully Relativistic Pseudopotentials and Application to a Thin Magnetic Film on the Metal, J. Magn. Magn. Mater., 310 (2007) 1637-1639. DOI: http://dx.doi.org/10.1016/j.jmmm.2006.10.491
擬ポテンシャル法を用いた第一原理計算の計算コード開発および並列計算コード開発
小田竜樹,「ノンコリニアー磁性の第一原理分子動力学と液体酸素のシミュレーション」,日本物理学会誌,第60巻,第1号, (2005) 35-39.
Junpei Gotou, Shinya Haraguchi, Masahito Tsujikawa, Tatsuki Oda, Time benchmarks for the OpenMP and GPU parallelized calculation in the planewave pseudopotential density functional approach, Recent Development in Computational Science (ISSN 2223-0785), 2 (2011) 17-25.

(2) First-Principles Molecular-Dynamics of Liquid Oxygen

Junpei Gotou, Shinya Haraguchi, Masahito Tsujikawa, Tatsuki Oda, Time benchmarks for the OpenMP and GPU parallelized calculation in the planewave pseudopotential density functional approach, Recent Development in Computational Science (ISSN 2223-0785), 2 (2011) 17-25.
T. Oda and A. Pasquarello, Structural and Magnetic Correlations in Liquid Oxygen : An Ab Initio Molecular Dynamics Study, J. Phys.: Condens. Matter, 15 (2003) S89-S94. DOI: http://dx.doi.org/10.1088/0953-8984/15/1/310
T. Oda and A. Pasquarello, Noncollinear Magnetism in Liquid Oxygen: A First-Principles Molecular Dynamics Study, Phys. Rev. B, 70 (2004) 134402(1-19). DOI: http://dx.doi.org/10.1103/PhysRevB.70.134402

(3) Atomic, Magnetic and Electronic Structure of Magnetism Cluster

T. Oda, Magnetic Excitation of Ferromagnetic Dimer Molecules, Euro. Phys. J. D., 16 (2001) 181-184.
N. Fujima and T. Oda, Non-collinear Magnetic Moment of Linear-Chain Fe Clusters, Trans. Mat. Res. Soc. Jpn., 27 (2002) 201-204.
H. Shiroishi, T. Oda, I. Hamada and N. Fujima ,Structure and Magnetism on Iron Oxide Clusters FenOm(n=1-5) : Calculation from First Principles, Eur. Phys. J. D, 24 (2003) 85-88. DOI: http://dx.doi.org/10.1140/epjd/e2003-00136-3
N. Fujima and T. Oda, Structure and Non-Collinear Magnetism of Iron Linear Chains, Eur. Phys. J. D., 24 (2003) 89-92. DOI: http://dx.doi.org/10.1140/epjd/e2003-00135-4
H. Shiroishi, T. Oda, I. Hamada and N. Fujima, Structure and Magnetism of Anion Iron Oxide Clusters FenOm(n=3,4), Polyhedron, 24 (2005) 2472-2476. DOI: http://dx.doi.org/10.1016/j.poly.2005.03.065
H. Shiroishi, T. Oda, I. Hamada and N. Fujima, Structure and Magnetism of Anion Iron Oxide Clusters Fe_nO_m(n=3,4), Polyhedron, 24 (2005) 2472-2476.
N. Fujima and T. Oda, Structure and Magnetic Properties of Iron Chains Encapsulated in Tubal Carbon Nano Capsules, Phys. Rev. B, 71 (2005) 115412(1-9). DOI: http://dx.doi.org/10.1103/PhysRevB.71.115412
H. Shiroishi, T. Oda and N. Fujima, Electronic Structure and Magnetism of Fe-Wire in Carbon Nanotubes, J. Magn. Magn. Mater., 310 (2007) 1640-1641.
H. Shiroishi, T. Oda, H. Sakashita and N. Fujima, Structure and Magnetism in Carbon Nanotubes Including Magnetic Wire, Eur. Phys. J. D., 143 (2007) 129-132.
N. Fujima and T. Oda, Bonding properties and structures of titanium clusters on (10, 0) single wall carbon nano capsule, Eur. Phys. J. D., 52 (2009) 87-90. DOI: http://dx.doi.org/10.1140/epjd/e2009-00066-0

(4) Electronic Structure and Magnetism of Biomolecule Cluster

T. Oda, H. Nagao, A. Sugiyama, and K. Wada, Electronic structure and magnetism at the active site in ferredoxin : ab initio approach to (Fe₂S₂)²⁺ complex with the 1st peptide shell, Polyhedron, 24 (2005) 2550-2556.DOI: http://dx.doi.org/10.1016/j.poly.2005.03.167
Naohiro Kitagawa, Masao Obata, Tatsuki Oda, Density functional study on positively charged six-coordinate FeO₂ porphyrin complex for a trigger of O₂ dissociation, Chemical Physics Letters 643 (2016) 119–125. DOI: 10.1016/j.cplett.2015.11.026

(5) Development of Tight-Binding Molecular-Dynamics Simulation

F. Shimizu, H. Kaburagi, T. Oda and Y. Hiwatari, Chain Structure of Liquid and Amorphous Selenium : Tight-Binding Molecular-Dynamics Simulation, J. Non-Cryst. Solids, 250-252 (1999) 433-436.DOI: http://dx.doi.org/10.1016/S0022-3093(99)00337-3
T. Oda and Y. Hiwatari, Order-N Tight-Binding Molecular Dynamics Simulation with a Fermi Operator Expansion Approach : Application to a Liquid Carbons, J. Phys. : Condens. Matter , 12 (2000) 1627-1639. DOI: http://dx.doi.org/10.1088/0953-8984/12/8/305
T. Oda and Y. Hiwatari, Tight-Binding Molecular-Dynamics with the Fermi Operator Expansion : Application to Liquid Carbons, Prog. Theor. Phys., Suppl., 138 (2000) 124-125.

(6) Molecule-Dynamics and Cluster

S. Makino, T. Oda and Y. Hiwatari, Classical Molecular Dynamics for the Formation Process of a Fullerene Molecule, J. Phys. Chem. Solids, 58 (1997) 1845-1861.DOI: http://dx.doi.org/10.1016/S0022-3697(97)00093-0
T. Hasimoto, T. Oda and Y. Hiwatari, Structural Transformations of Ice at High Pressures via Molecular Dynamics Simulations II, Mol. Simul., 18 (1997) 395-406.DOI: http://dx.doi.org/10.1080/08927029708024133
K. Uehara, M. Ishitobi, T. Oda and Y. Hiwatari, First-Principles Molecular Dynamics Simulations of Selenium Clusters, Mol. Simul., 18 (1997) 385-394.DOI: http://dx.doi.org/10.1080/08927029708024132
K. Uehara, M. Ishitobi, T. Oda and Y. Hiwatari, First-Principles Molecular Dynamics Simulations for Se₈ and Se₈⁺ Clusters, Mol. Simul., 19 (1997) 75-84.DOI: http://dx.doi.org/10.1080/08927029708024140
K. Uehara, M. Ishitobi, T. Oda and Y. Hiwatari, First-Principles Molecular Dynamics Simulations of Selenium Clusters, Z. Phys. D, 40 (1997) 472-475.
K. Uehara, T. Oda, Y. Hiwatari and M. Ishitobi, First-Principles Molecular Dynamics Calculation of Selenium Clusters, Proceedings of the International Symposium, The Physics of Complex Liquids, ed. F. Yonezawa, K. Tsuji, K. Kaji, M. Doi, T. Fujiwara,(Singapore: World Scientific), (1998) p.144-152.
Yoshiaki Hashimoto, Masako Takasu, Shuhei Kawamoto, Tatsuki Oda, Hidemi Nagao, Takamasa Sakai and Ung-il Chung, Structure and dynamics of tetra-PEG gel by Brownian dynamics, Transactions of the Materials Research Society of Japan, 35 (2010) 547-553. http://u111u.info/kmu2
Shuhei Kawamoto, Masako Takasu, Takeshi Miyakawa, Ryota Morikawa, Tatsuki Oda, Shiroh Futaki and Hidemi Nagao, Inverted micelle formation of cell-penetrating peptide studied by coarse-grained simulation: Importance of attractive force between cell-penetrating peptides and lipid head group, J. Chem. Phys., 134 (2011), 095103(1-6). DOI: http://dx.doi.org/10.1063/1.3555531
Shuhei Kawamoto, Takeshi Miyakawa, Masako Takasu, Ryota Morikawa, Tatsuki Oda, Hiroaki Saito, Shiroh Futaki and Hidemi Nagao, Cell penetrating peptide induces various deformations of lipid bilayer membrane: inverted micelle, double bilayer and trans-membrane, International Journal of Quantum Chemistry, 112 (2012), 178-183. ( January 2012) DOI: http://dx.doi.org/10.1002/qua.23177
Shuhei Kawamoto, Masako Takasu, Takeshi Miyakawa, Ryota Morikawa, Tatsuki Oda, Shiroh Futakic, and Hidemi Nagao, Binding of Tat Peptides on DOPC and DOPG Lipid Bilayer Membrane Studied by Molecular Dynamics Simulations, Molecular Simulation, 38(5), (2012), 366-368.DOI: http://dx.doi.org/10.1080/08927022.2010.536546

(7) First-Principles Study under High Pressure Condition

M. Geshi, T. Oda and Y. Hiwatari, High Pressure Phases and the Structural Phase Transition of Selenium, J. Phys. Soc. Jpn., 67 (1998) 3141-3146.DOI: http://dx.doi.org/10.1143/JPSJ.67.3141
M. Geshi, T. Oda and Y. Hiwatari, The Electronic Structure of a High Pressure Monoclinic Selenium and the Structural Phase Transition, J. Phys. Soc. Jpn., 68 (1999) 3341-3346.DOI: http://dx.doi.org/10.1143/JPSJ.68.3341
M. Geshi, T. Oda and Y. Hiwatari, Electronic Structures and Phase Transitions of Selenium under High Pressure with FLAPW method, Prog. Theor. Phys., Suppl., 138 (2000) 249-250.
I. Hamada, T. Oda, and N. Suzuki, Theoretical Study on Pressure-Induced Structural Phase Transitions in Phosphorus, Science and Technology of High Pressure (Proceedings of AIRAPT-17), edited by M.H. Manghnani, W. J. Nellis and M. F. Nicol, (Universities Press, Hyderabad, India), 467-470, 2000.
M. Geshi, T. Oda and Y. Hiwatari, Electronic Structure and Structural Stability of the High-Pressured Orthorhombic Phase of Selenium, J. Phys. : Condens. Matter, 13 (2001) 9401-9410.DOI: http://dx.doi.org/10.1088/0953-8984/13/42/301
M. Geshi, T. Oda and Y.Hiwatari, Electronic Structure and Space Group of the Orthorhombic Selenium under High Pressure, J. Phys.: Condens. Matter, 14 (2002) 10885-10890. DOI: http://dx.doi.org/10.1088/0953-8984/14/44/395
T. Oda, K. Sugimori, H. Nagao, I. Hamada, S. Kagayama, M. Geshi, H. Nagara, K. Kusakabe and N. Suzuki, Oxygen at High Pressures : Theoretical Approach to Monoatomic Phases, J. Phys.: Condens. Matter, 19 (2007) 365211 (1-7). DOI: http://dx.doi.org/10.1088/0953-8984/19/36/365211
T. Ishikawa, H. Nagara, T. Oda, N. Suzuki, and K. Shimizu, Phase with pressure-induced shuttlewise deformation in dense solid atomic hydrogen, Phys. Rev. B 90, (2014) 104102(1-6).DOI: http://dx.doi.org/10.1103/PhysRevB.90.104102.
Takahiro Ishikawa, Tatsuki Oda, Naoshi Suzuki, and Katsuya Shimizu, Review on distorted face-centered cubic phase in yttrium via genetic algorithm, High Pressure Research (regular article), Published online: 25 Nov 2014 DOI: http://dx.doi.org/10.1080/08957959.2014.983501

(8) Solid State Physics

T. Oda, M. Shirai, N.Suzuki and K. Motizuki, Role of Electron--phonon Interaction in Lattice Dynamics and Superconductivity of an Oxide Spinel LiTi₂O₄, J. Supercond., 7 (1994) 555-558.
T. Oda, M. Shirai, N.Suzuki and K. Motizuki, Electron-Phonon Interaction, Lattice Dynamics and Superconductivity of an Oxide Spinel LiTi₂O₄, J. Phys.: Condens. Matter, 6 (1994) 6997-7012.DOI: http://dx.doi.org/10.1088/0953-8984/6/35/009
T. Oda, M. Shirai, N.Suzuki and K. Motizuki, Electronic Band Structure of Sulphide Spinels CuM₂S₄ (M=Co, Rh, Ir), J. Phys.: Condens. Matter, 7 (1995) 4433-4445.DOI: http://dx.doi.org/10.1088/0953-8984/7/23/012
T. Oda, M. Shirai, N.Suzuki and K. Motizuki, First-Principles Study on Lattice Dynamics and Electron-Phonon Interaction in an Oxide Spinel LiTi₂O₄, Physica B, 219&220 (1996) 451-453.DOI: http://dx.doi.org/10.1016/0921-4526(95)00775-X
N. Suzuki, H. Sakamoto, T. Oda and M. Shirai, First-Principles Calculation of Lattice Dynamics and Electron-Phonon Interaction in Hight Pressure Phase of Solid Iodine", Physica B, 219&220 (1996) 454-456.DOI: http://dx.doi.org/10.1016/0921-4526(96)00776-4
H. Sakamoto, T. Oda, M. Shirai and N. Suzuki, Application of Frozen--Phonon Method to Lattice Dynamics in Fcc Solid Iodine, J. Phys. Soc. Jpn., 65 (1996) 489-495.DOI: http://dx.doi.org/10.1143/JPSJ.65.489
T. Oda, M. Shirai, N. Suzuki and K. Motizuki, Full-Potential Calculation of Electronic Structure of Sulphide Spinels , Cryst. Res. Technol., 31 (1996) 877-880.
I. Hamada, T. Oda, N. Suzuki, and H. Katayama-Yoshida, Variational Density-Functional Perturbation Theory with Ultrasoft Pseudopotentials, J. Compt. Theor. Nano. ( Journal of Computational and Theoretical Nanoscience), 6 (2009) 2550-2558.DOI: http://dx.doi.org/10.1166/jctn.2009.1314
Masao Obata, Mega Christivana, and Tastuki Oda, Investigation of magnetic dipole-dipole interaction using magnetic density on solid oxygen based on first-principles approach, AIP Advances 8, 101419 (2018) DOI: https://doi.org/10.1063/1.5043062
Hirofumi Sakakibara, Takao Kotani, Masao Obata, and Tatsuki Oda, “Finite electric-field approach to evaluate the vertex correction for the screened Coulomb interaction in the quasiparticle self-consistent GW method”, Physical Review B, 101, 205120 (2020), published 15 May 2020. DOI: https://doi.org/10.1103/PhysRevB.101.205120
Hasan Al Rasyid, Masao Obata, Indra Pardede, Marleni Wirmas,　Takao Kotani, and Tatsuki Oda, “Electronic structure investigation of spinel NiCo2O4 from quasi-particle self-consistent GW method”, The Science Reports of Kanazawa University (accepted August 12, 2020), 2020, published 15 May 2020.
DOI: http://scirep.w3.kanazawa-u.ac.jp/

(9) Magnetic Anisotropy

T. Oda, M. Shirai, N.Suzuki and K. Motizuki, Role of Electron--phonon Interaction in Lattice Dynamics and Superconductivity of an Oxide Spinel LiTi₂O₄, J. Supercond., 7 (1994) 555-558.
M. Tsujikawa, A. Hosokawa and T. Oda, Magnetic Anisotropies of Iron on the Low Index Platinum Surface, J. Magn. Magn. Mater., 310 (2007) 2189-2191. DOI: http://dx.doi.org/10.1016/j.jmmm.2006.10.754
M. Tsujikawa, A. Hosokawa and T. Oda, Magnetic Anisotropies of Iron on the Pt (111) Surface, J. Phys.: Condens. Matter, 19 (2007) 365208 (1-8); Erratum 19 (2007) 479002 (1-1). DOI: http://dx.doi.org/10.1088/0953-8984/19/36/365208
M. Tsujikawa, A. Hosokawa and T. Oda, Magnetic Anisotropy of Fe/Pt(001) and Pt/Fe/Pt(001) Using a First-Principles Approach, Phys. Rev. B, 77 (2008) 054413(1-10).DOI: http://dx.doi.org/10.1103/PhysRevB.77.054413
小田竜樹，辻川雅人，「第一原理計算による表面磁気異方性計算」，表面科学，Vol. 29, No. 10 (2008) 637-641.
M. Tsujikawa and T. Oda, Electronic structure and magnetic anisotropy of a constrained Fe chain in electric field, J. Phys. : Condens. Matter, 21 (2009) 064213 (1-6).DOI: http://dx.doi.org/10.1088/0953-8984/21/6/064213
M. Tsujikawa and T. Oda, Finite electric field effects in the large perpendicular magnetic anisotropy surface Pt/Fe/Pt(001): a first principles study, Phys. Rev. Lett., 102 (2009) 247203(1-4). DOI: http://dx.doi.org/10.1103/PhysRevLett.102.247203
M. Tsujikawa, and T. Oda, Electronic Structure and Magnetic Anisotropy in Iron Chains from a First-Principles Study, J. Compt. Theor. Nano. ( Journal of Computational and Theoretical Nanoscience), 6 (2009) 2597-2602.DOI: http://dx.doi.org/10.1166/jctn.2009.1320
T. Oda, Y. Yokoo, H. Sakashita, and M. Tsujikawa, Magnetic Anisotropy in Small Clusters FePt, Fe₂Pt, and FePt₂ : from a First-Principles Study, J. Compt. Theor. Nano.( Journal of Computational and Theoretical Nanoscience), 6 (2009) 2603-2607.DOI: http://dx.doi.org/10.1166/jctn.2009.1321
Masahito Tsujikawa, Shinya Haraguchi, Tatsuki Oda, Yoshio Miura and Masafumi Shirai, A Comparative Ab Initio Study on Electric-Field Dependence of Magnetic Anisotropy in MgO/Fe/Pt and MgO/Fe/Au Films, J. Appl. Phys., 109 (2011) 07C107(1-3).DOI: http://dx.doi.org/10.1063/1.3540677
Shinya Haraguchi, Masahito Tsujikawa, Junpei Gotou, Tatsuki Oda, Electric-field effects on magnetic anisotropy in Pd/Fe/Pd(001) surface, J. Phys. D: Appl. Phys., 44 (2011) 064005(1-8).DOI: http://dx.doi.org/10.1088/0022-3727/44/6/064005
Masahito Tsujikawa, Shinya Haraguchi, and Tatsuki Oda, Effect of atomic monolayer insertions on electric-field-induced rotation of magnetic easy axis, J. Appl. Phys., 111 (2012) 083910(1-4).DOI: http://dx.doi.org/10.1063/1.3703682
Tetsuro Ueno, Masahiro Sawada, Kazuhito Furumoto, Tetsuro Tagashira, Satoshi Tohoda, Akio Kimura, Shinya Haraguchi, Masahito Tsujikawa, Tatsuki Oda, Hirofumi Namatame, and Masaki Tanigushi, Interface atomic structures and magnetic anisotropy of Fe and Pd/Fe monatomic films on Pd(001), Phys. Rev. B, 85 (2012) 224406(1-11).DOI: http://dx.doi.org/10.1103/PhysRevB.85.224406
D. Yoshikawa, M. Obata, Y. Taguchi, S. Haraguchi, and T. Oda, Possible origin of non-linear magnetic anisotropy variation in electric field effect in a double interface system, Applied Physics Express, 7 (2014) 113005(1-4).DOI: http://dx.doi.org/10.7567/APEX.7.113005
Daiki Yoshikawa, Masao Obata, and Tatsuki Oda, First-principles study on structural and electronic properties in Fe/MgO double interface, JPS Conference Proceedings 5, (2015) 011012 (1-7). DOI: http://dx.doi.org/10.7566/JPSCP.5.011012.
Mohamed Belmoubarik, Muftah Al-Mahdawi, Masao Obata, Daiki Yoshikawa, Hideyuki Sato, Tomohiro Nozaki, Tatsuki Oda, and Masashi Sahashi, Tunneling electroresistance of MgZnO-based tunnel junctions, Applied Physics Letters 109 (2016) 173507, accepted on 12 October 2016, published online on 26 October 2016. DOI: http://dx.doi.org/10.1063/1.4966180
Tatsuki Oda and Masao Obata, Implementation of magnetic dipole interaction in the planewave-basis approach for slab systems, J. Phys. Soc. Jpn.(Journal of the Physical Society of Japan), 87, 064803 (2018) [8 Pages], Published online on 25 May 2018, DOI: https://doi.org/10.7566/JPSJ.87.064803
Indra Pardede, Tomosato Kanagawa, Nurul Ikhsan, Itsuki Murata1, Daiki Yoshikawa, Masao Obata, and Tatsuki Oda, A comprehensive study of sign change in electric field control perpendicular magnetic anisotropy energy at Fe/MgO interface: first principles calculation, IEEE Transactions on Magnetics (IEEE Trans. Magn.), Volume: 55, Issue: 2, Print ISSN: 0018-9464, Online ISSN: 1941-0069, DOI: https://doi.org/10.1109/TMAG.2018.2860581
Tatsuki Oda, Indra Paradede, Tomosato Kanagawa, Nurul Ikhsan, Daiki Yoshikawa, and Masao Obata, Shape Magnetic Anisotropy from Spin Density in Nanoscale Slab Systems, IEEE Transactions on Magnetics, Accepted on 29 August 2018, DOI: https://doi.org/10.1109/TMAG.2018.2868843
Nurul Ikhsan, Indra Paradede, Tomosato Kanagawa, Daiki Yoshikawa, Masao Obata, and Tatsuki Oda, Fermi level smearing effect in the perpendicular interfac Fe/MgO magnetic anisotropy, accepted for publication to The Science Reports of Kanazawa University, Accepted on 28 August 2018.
Nurul Ikhsan, Tomosato Kanagawa, Indra Paradede, Daiki Yoshikawa, and Tatsuki Oda, Perpendicular and in-plane magnetic anisotropies in Cr-buffered Fe(x)/MgO interface from first-principles approach, accepted for publication to The Science Reports of Kanazawa University, Accepted on 23 August 2018.
Muftah Al-Mahdawi, Mohamed Belmoubarik, Masao Obata, Daiki Yoshikawa, Hideyuki Sato, Tomohiro Nozaki, Tatsuki Oda, and Masashi Sahashi, Large nonvolatile control of magnetic anisotropy in CoPt/ZnO magnetic tunnel junctions, Phys. Rev. B, 100, 054423 (2019), DOI: https://link.aps.org/doi/10.1103/PhysRevB.100.054423
Indra Pardede, Daiki Yoshikawa, Tomosato Kanagawa, Nurul Ikhsan, Itsuki Murata, Masao Obata, Tatsuki Oda, Anatomy of large perpendicular magnetic anisotropy in free-standing Co/Ni(111) multilayer, J. Magn. Magn. Mater., 500, 166357 (2020), DOI: https://doi.org/10.1016/j.jmmm.2019.166357
Indra Pardede, Daiki Yoshikawa, Tomosato Kanagawa, Nurul Ikhsan, Masao Obata, and Tatsuki Oda, “Anatomy of magnetic anisotropy and voltage-controlled magnetic anisotropy in metal oxide heterostructure from first principles”, Special Issue "Magnetism in Low Dimensional Structures" of Crystals (MDPI) (peer-reviewed open access journal), accepted on December 2, 2020, published on December 8 (online only). Crystals 2020, 10, 1118.
DOI: https://doi.org/10.3390/cryst10121118
Abstract: https://www.mdpi.com/2073-4352/10/12/1118
HTML Version: https://www.mdpi.com/2073-4352/10/12/1118/htm
PDF Version: https://www.mdpi.com/2073-4352/10/12/1118/pdf

(10) Surface Electronic Structure

K. Sakamoto, T. Oda, A. Kimura, K. Miyamoto, M. Tsujikawa, A. Imai, N. Ueno, H. Namatame, M. Taniguchi, P. E. J. Eriksson, and R. I. G. Uhrberg, Abrupt rotation the Rashba spin to the direction perpendicular to the surface, Phys. Rev. Lett., 102 (2009) 096805(1-4).DOI: http://dx.doi.org/10.1103/PhysRevLett.102.096805
A. Araki, T. Nishijima, M. Tsujikawa and T. Oda, Spin-splitting band dispersions of the heavy elements on Si (111)-(1×1) surface, J. Phys.: Conf. Ser.(Conference Series), 200 (2010) 062001(1-4).DOI: http://dx.doi.org/10.1088/1742-6596/200/6/062001
Kazuyuki Sakamoto, Tae-Hwan Kim, Takuya Kuzumaki, Beate Müller, Yuta Yamamoto, Minoru Ohtaka, Jacek Osiecki, Koji Miyamoto, Yasuo Takeichi, Ayumi Harasawa, Sebastian D. Stolwijk, Anke B. Schmidt, Jun Fujii, Roger I. G. Uhrberg, Markus Donath, Han Woong Yeom and Tatsuki Oda, Valley spin polarization by extraordinary Rashba spin on silicon, Nat. Commun., 4, 2073, http://dx.doi.org/10.1038/ncomms3073, (2013) (6 pages).
Kazuyuki Sakamoto, Tatsuki Oda, Akio Kimura, Yasuo Takeichi, Jun Fujii, R. I. G. Uhrberg, Markus Donath, Han Woong Yeom, Symmetry-induced peculiar Rashba effect on thallium adsorbed Si(111) surfaces, Journal of Electron Spectroscopy and Related Phenomena, in press, 2014. DOI: http://dx.doi.org/10.1016/j.elspec.2014.09.008)
Emilia Annese, Takuya Kuzumaki, Beate Müller, Yuta Yamamoto, Hiroto Nakano, Haruki Kato, Atsushi Araki, Minoru Ohtaka, Takashi Aoki, Hirotaka Ishikawa, Takashi Hayashida, Jacek R. Osiecki, Koji Miyamoto, Yasuo Takeichi, Ayumi Harasawa, Koichiro Yaji, Tetsuroh Shirasawa, Koh-ichi Nittoh, Woo Il Yang, Kazushi Miki, Tatsuki Oda, Han Woong Yeom, and Kazuyuki Sakamoto, Nonvortical Rashba spin structure on a surface with C1h symmetry, Phys. Rev. Lett., 117 (2016) 16803, published on 30 June 2016. DOI: http://dx.doi.org/10.1103/PhysRevLett.117.016803

(11) Carbon Material

K. Yamashita, M. Saito and T. Oda, Atomic Geometry and Stability of Mono-, Di- and Tri-vacancies in Graphene, Jpn. J. Appl. Phys., 45 (2006) 6534-6536.DOI: http://dx.doi.org/10.1143/JJAP.45.6534
K. Wako, I. Okada, M. Tachibana, K. Kojima and T. Oda, Formation of a Five-Seven Pair Couple Defect in Double-Walled Carbon Nanotubes under Bending Deformation, J. Appl. Phys., 102 (2007) 113522 (1-7).DOI: http://dx.doi.org/10.1063/1.2821247
M. Saito, K. Yamashita and T. Oda, Magic Numbers of Graphene Multivacancies, Jpn. J. Appl. Phys, 46 (2007) L1185 - L1187.DOI: http://dx.doi.org/10.1143/JJAP.46.L1185
K. Wako, T. Oda, M. Tachibana, and K. Kojima, Bending Deformation of Single-Walled Carbon Nanotubes Caused by a Five-Seven Pair Couple Defect, Jpn. J. Appl. Phys., 47 (2008) 6601-6605.DOI: http://dx.doi.org/10.1143/JJAP.47.6601

(12) van der Waals Spin Density Functional Theory

M. Obata, M. Nakamura, I. Hamada, and T. Oda, Implementation of van der Waals density functional approach to the spin polarized system: interaction potential between oxygen molecules, J. Phys. Soc. Jpn., 82 (2013) 093701(1-5).DOI: http://dx.doi.org/10.7566/JPSJ.82.093701
Masao Obata, Makoto Nakamura, Ikutaro Hamada, and Tatsuki Oda, Improving the Description of Nonmagnetic and Magnetic Molecular Crystals via the van der Waals Density Functional, J. Phys. Soc. Jpn., 84 (2015) 024715(1-9). DOI: http://dx.doi.org/10.7566/JPSJ.84.024715
Masao Obata, Ikutaro Hamada, and Tatsuki Oda, Molecular Interactions for Modeling of Oxygen System Using van der Waals Density Functional Approach, JPS Conference Proceedings 5, (2015) 011011(1-7). DOI: http://dx.doi.org/10.7566/JPSCP.5.011011.
Masao Obata, Ikutaro Hamada, and Tatsuki Oda, First principles study on solid oxygen using van der Waals density functional, Physics Procedia, 75 (2015) 771-778. The proceedings of ICM 2015(20th International Conference on Magnetism). DOI: http://dx.doi.org/10.1016/j.phpro.2015.12.100.
Mega Christivana, Masao Obata, and Tatsuki Oda, Noncollinear magnetic structure with spin- dependent van der Waals density functional approach: beta-phase solid oxygen, J. Phys. Soc. Jpn., 88, 104601 (2019),DOI: https://journals.jps.jp/doi/10.7566/JPSJ.88.104601.

(13) ab initio Logarithmic Mean Force Dynamics
　　(Development of ab initio Approach to Calculate Free-Energy）

M. Nakamura, M. Obata, T. Morishita, and T. Oda, An ab initio approach to free-energy reconstruction using logarithmic mean force dynamics, J. Chem. Phys., 140 (2014) 184110(1-10).DOI: http://dx.doi.org/10.1063/1.4874654

(14) High-pressure Crystal Structure Prediction, using Evolutionary Algorithm Simulation

Athiya M. Hanna, Toru Yoshizaki, Muhamad A. Martoprawiro, Tatsuki Oda, High-pressure crystal structure prediction, using evolutionary algorithm simulation, Recent Development in Computational Science (ISSN 2223-0785), 2 (2011) 37-45.
T. Ishikawa, H. Nagara, T. Oda, N. Suzuki, and K. Shimizu, Phase with pressure-induced shuttlewise deformation in dense solid atomic hydrogen, Phys. Rev. B 90, (2014) 104102(1-6).DOI: http://dx.doi.org/10.1103/PhysRevB.90.104102.
Takahiro Ishikawa, Tatsuki Oda, Naoshi Suzuki, and Katsuya Shimizu, Review on distorted face-centered cubic phase in yttrium via genetic algorithm, High Pressure Research (regular article), Published online: 25 Nov 2014 DOI: http://dx.doi.org/10.1080/08957959.2014.983501
Takahiro Ishikawa, Akitaka Nakanishi, Katsuya Shimizu, Hiroshi Katayama-Yoshida, Tatsuki Oda, and Naoshi Suzuki, Superconducting H5S2 phase in sulfur-hydrogen system under high-pressure, Scientific Reports (Sci. Rep.) 6, 23160; doi: 10.1038/srep23160 (2016). Published online on 17th March 2016.DOI: http://dx.doi.org/10.1038/srep23160
Takahiro Ishikawa, Akitaka Nakanishi, Katsuya Shimizu, and Tatsuki Oda, Phase Stability and Superconductivity of Compressed Argon-Hydrogen Compounds from First-Principles, J. Phys. Soc. Jpn. 86, 124711(2017). Published online November 14, 2017. DOI: https://doi.org/10.7566/JPSJ.86.124711

(15) Ferromagnetic Shape Memory Alloy

Tomáš Koubský, P. Sedlák, H. Seiner, Jaroslava Fojtikova, Masao Obata, Tatsuki Oda, and Ladislav Kalvoda, Ab Initio study of martensitic transition in Ni₂MnGa, ACTA PHYSICA POLONICA A 134(3) (2018) 804-806. DOI: http://dx.doi.org//10.12693/APhysPolA.134.804

(16) First-Principles Study under External Magnetic Field

Afrioni Roma Rio, Indra Pardede, Achmad Maulana Gani, Mega Christivana, Masao Obata, and Tatsuki Oda, Density functional approach under external magnetic field, J. Phys. Soc. Jpn., accepted for publication on 23th January 2020, DOI: https://doi.org/10.7566/JPSJ.89.035002

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Prof. Oda's Group

Research Achievement

Press release

List of Publications

List in field

(1) First-Principles Molecular-Dynamics of Noncollinear Magnetism

(2) First-Principles Molecular-Dynamics of Liquid Oxygen

(3) Atomic, Magnetic and Electronic Structure of Magnetism Cluster

(4) Electronic Structure and Magnetism of Biomolecule Cluster

(5) Development of Tight-Binding Molecular-Dynamics Simulation

(6) Molecule-Dynamics and Cluster

(7) First-Principles Study under High Pressure Condition

(8) Solid State Physics

(9) Magnetic Anisotropy

(10) Surface Electronic Structure

(11) Carbon Material

(12) van der Waals Spin Density Functional Theory

(13) ab initio Logarithmic Mean Force Dynamics
　　(Development of ab initio Approach to Calculate Free-Energy）

(14) High-pressure Crystal Structure Prediction, using Evolutionary Algorithm Simulation

(15) Ferromagnetic Shape Memory Alloy

(16) First-Principles Study under External Magnetic Field

Computation Nanoscience

Prof. Oda's Group

Prof. Sato's Group

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