Full-Potential KKR Calculations for Point Defect Energies in Metals, based on the Generalized-Gradient Approximation: I. Vacancy Formation Energies in fcc and bcc Metals

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.42.2206 ◽

2001 ◽

Vol 42 (11) ◽

pp. 2206-2215 ◽

Author(s):

Toshiharu Hoshino ◽

Toshiya Mizuno ◽

Mitsuhiro Asato ◽

Hiroshi Fukushima

Keyword(s):

Point Defect ◽

Vacancy Formation ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Defect Energies ◽

Formation Energies ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Point Defect Energies in Fe-Based Dilute Alloys, Based on the Generalized-Gradient Approximation

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.m2013176 ◽

2013 ◽

Vol 54 (9) ◽

pp. 1667-1672 ◽

Author(s):

Chang Liu ◽

M. Asato ◽

N. Fujima ◽

T. Hoshino

Keyword(s):

Point Defect ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Dilute Alloys ◽

Defect Energies ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Point Defect Energies in Metals, based on the Generalized-Gradient Approximation: II. Impurity-Impurity Interaction Energies and Phase Diagrams

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.42.2216 ◽

2001 ◽

Vol 42 (11) ◽

pp. 2216-2224 ◽

Author(s):

Mitsuhiro Asato ◽

Toshiya Mizuno ◽

Toshiharu Hoshino ◽

Hideaki Sawada

Keyword(s):

Point Defect ◽

Phase Diagrams ◽

Full Potential ◽

Interaction Energies ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Defect Energies ◽

Impurity Interaction ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Point Defect Energies in Fe-Based Dilute Alloys, Based on the Generalized-Gradient Approximation

Journal of the Japan Institute of Metals and Materials ◽

10.2320/jinstmet.j2014019 ◽

2014 ◽

Vol 78 (6) ◽

pp. 235-240

Author(s):

Chang Liu ◽

M. Asato ◽

N. Fujima ◽

T. Hoshino

Keyword(s):

Point Defect ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Dilute Alloys ◽

Defect Energies ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Lattice Distortion Effect of Point Defect in bcc-Fe Dilute Alloys, Based on the Generalized-Gradient Approximation

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.m2013391 ◽

2014 ◽

Vol 55 (8) ◽

pp. 1248-1256 ◽

Author(s):

M. Asato ◽

C. Liu ◽

K. Kawakami ◽

N. Fujima ◽

T. Hoshino

Keyword(s):

Point Defect ◽

Lattice Distortion ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Dilute Alloys ◽

Distortion Effect ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Point Defect Energies in Al

Journal of Metastable and Nanocrystalline Materials ◽

10.4028/www.scientific.net/jmnm.24-25.237 ◽

2005 ◽

Vol 24-25 ◽

pp. 237-240 ◽

Author(s):

T. Hoshino ◽

F. Nakamura

Keyword(s):

Point Defect ◽

Full Potential ◽

Defect Energies ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Lattice Distortion of Impurities in Fe-Based Dilute Alloys, Based on the Generalized-Gradient Approximation

Proceedings of the 8th Pacific Rim International Congress on Advanced Materials and Processing ◽

10.1007/978-3-319-48764-9_349 ◽

2013 ◽

pp. 2821-2825 ◽

Author(s):

C. Liu ◽

M. Asato ◽

N. Fujima ◽

T. Hoshino

Keyword(s):

Lattice Distortion ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Dilute Alloys ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Lattice Distortion of Impurities in Fe-Based Dilute Alloys, Based on the Generalized-Gradient Approximation

PRICM ◽

10.1002/9781118792148.ch349 ◽

2013 ◽

pp. 2821-2825 ◽

Author(s):

C. Liu ◽

M. Asato ◽

N. Fujima ◽

T. Hoshino

Keyword(s):

Lattice Distortion ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Dilute Alloys ◽

Full Potential Kkr

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Full-Potential KKR Calculations for Lattice Distortion Around Impurities in Al-based Dilute Alloys, Based on the Generalized-Gradient Approximation

Physics Procedia ◽

10.1016/j.phpro.2015.12.179 ◽

2015 ◽

Vol 75 ◽

pp. 1088-1095 ◽

Author(s):

C. Liu ◽

M. Asato ◽

N. Fujima ◽

T. Hoshino

Keyword(s):

Lattice Distortion ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Dilute Alloys ◽

Full Potential Kkr

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Screened full-potential KKR calculations for iron compounds, based on the generalized-gradient approximation

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2004.02.009 ◽

2004 ◽

Vol 272-276 ◽

pp. E231-E232 ◽

Author(s):

T Hoshino ◽

M Asato ◽

T Nakamura ◽

R Zeller ◽

P.H Dederichs

Keyword(s):

Full Potential ◽

Generalized Gradient ◽

Iron Compounds ◽

Generalized Gradient Approximation ◽

Full Potential Kkr

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Screened full-potential KKR calculations for transition metals, based on the generalized-gradient approximation

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2003.11.165 ◽

2004 ◽

Vol 272-276 ◽

pp. E229-E230 ◽

Author(s):

T Hoshino ◽

M Asato ◽

T Nakamura ◽

R Zeller ◽

P.H Dederichs

Keyword(s):

Transition Metals ◽

Full Potential ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Full Potential Kkr

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