Development of KKR-Green's function method calculation code
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Papers (56):
Mitsuhiro Asato, Chang Liu, Nobuhisa Fujima, Toshiharu Hoshino. Theoretical Approach for Long-Ranged Local Lattice Distortion in Al-Rich AlX (X = H∼Sn) Disordered Alloys by Kanzaki Model Combined with KKR Green’s Function Method. MATERIALS TRANSACTIONS. 2021. 62. 10. 1429-1438
Mitsuhiro Asato, Chang Liu, Nobuhisa Fujima, Toshiharu Hoshino, Tetsuo Mohri. Full-Potential KKR Calculations for Interaction Energies in Al-Rich AlX (X = H~Sn) Alloys: I. Fundamental Features and Thermal Electronic Contribution due to Fermi-Dirac Distribution. Journal of the Japan Institute of Metals and Materials. 2020. 84. 9. 295-303
M.Asato, C.Liu, N.Fujima, T.Hoshino, Y.Chen, T.Mohri. Accuracy of Real Space Cluster Expansion for Total Energies of Pd-rich PdX (X=Rh, Ru) Alloys, based on Full-Potential KKR Calculations for Perfect and Impurity Systems. MATEC Web Conf. 2019. 246. 03002
Hoshino T., Asato M., Hirosawa S., Sato T. First-principles calculations for interaction-energy model : Cluster expansion for internal energy. Meeting abstracts of the Physical Society of Japan. 2003. 58. 2. 878-878
Hoshino T, Asato M. First-principles calculations for interaction energies of point defects in Al:I. 2,3,4 body interaction energies of vacancy clusters. Meeting abstracts of the Physical Society of Japan. 2002. 57. 2. 833-833
Hoshino T., Asato M. Impurity-impurity interaction energies in metals by the impurity GGA-FPKKR-Green's function method and phase diagramls : micromechanism of the impurity-impurity interaction enegies. Meeting abstracts of the Physical Society of Japan. 2001. 56. 2. 818-818
Hoshino T., Asato M., Mizuno T., Sawada H. Impurity-impurity interaction energies in bcc metals, obtained by the impurity GGA-FPKKR-Green's function method, and Phase Diagrams II. Meeting abstracts of the Physical Society of Japan. 2001. 56. 1. 836-836
Mizuno T., Asato M., Hoshino T., Kawakami K. Vacancy formation energies of fcc and bcc metals (Li to Pb), obtained by Impurity-GGA-FPKKR-Green function method. Meeting abstracts of the Physical Society of Japan. 2001. 56. 1. 836-836