Interstitial iron impurities at grain boundaries in silicon: A first-principles study

Benedikt Ziebarth; Matous Mrovec; Christian Elsässer; Peter Gumbsch

doi:10.1103/physrevb.91.035309

Interstitial iron impurities at grain boundaries in silicon: A first-principles study

Physical Review B ◽

10.1103/physrevb.91.035309 ◽

2015 ◽

Vol 91 (3) ◽

Cited By ~ 22

Author(s):

Benedikt Ziebarth ◽

Matous Mrovec ◽

Christian Elsässer ◽

Peter Gumbsch

Keyword(s):

Grain Boundaries ◽

First Principles ◽

First Principles Study

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First-Principles Study of Substitutional Impurity Segregation in Zirconia, Hafnia, and Yttria-Stabilized-Zirconia Grain Boundaries

2018 Joint Propulsion Conference ◽

10.2514/6.2018-4830 ◽

2018 ◽

Author(s):

Maziar Behtash ◽

Jian Luo ◽

Kesong Yang

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Substitutional Impurity ◽

First Principles Study ◽

Impurity Segregation

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The Roles of Oxide Interfaces and Grain Boundaries in Helium Management in Nano-Structure Ferritic Alloys: A First Principles Study

TMS 2016 145th Annual Meeting & Exhibition ◽

10.1007/978-3-319-48254-5_72 ◽

2016 ◽

pp. 599-606

Author(s):

Y. Jiang ◽

L.-T. Yang ◽

J. Xu ◽

G. R. Odette ◽

Y. Wu ◽

...

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Nano Structure ◽

Oxide Interfaces ◽

Ferritic Alloys ◽

First Principles Study

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First-Principles Study of the Stability and Interfacial Bonding of Tilt and Twist Grain Boundaries in Al and Cu

Journal of the Japan Institute of Metals and Materials ◽

10.2320/jinstmet.73.559 ◽

2009 ◽

Vol 73 (8) ◽

pp. 559-565

Author(s):

Ru-Zhi Wang ◽

Masanori Kohyama ◽

Shingo Tanaka ◽

Tomoyuki Tamura ◽

Shoji Ishibashi

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Interfacial Bonding ◽

First Principles Study ◽

The Stability

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First-principles study on the interaction of H interstitials with grain boundaries inα- andγ-Fe

Physical Review B ◽

10.1103/physrevb.84.144121 ◽

2011 ◽

Vol 84 (14) ◽

Cited By ~ 122

Author(s):

Yaojun A. Du ◽

Lars Ismer ◽

Jutta Rogal ◽

Tilmann Hickel ◽

Jörg Neugebauer ◽

...

Keyword(s):

Grain Boundaries ◽

First Principles ◽

First Principles Study

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First-principles study of bismuth films at transition-metal grain boundaries

Physical Review B ◽

10.1103/physrevb.90.144102 ◽

2014 ◽

Vol 90 (14) ◽

Cited By ~ 13

Author(s):

Qin Gao ◽

Michael Widom

Keyword(s):

Transition Metal ◽

Grain Boundaries ◽

First Principles ◽

First Principles Study ◽

Bismuth Films

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K-0102 First-Principles Study of the Strength and Fracture of SiC Grain Boundaries

The proceedings of the JSME annual meeting ◽

10.1299/jsmemecjo.v.01.1.0_3 ◽

2001 ◽

Vol V.01.1 (0) ◽

pp. 3-4

Author(s):

Masanori KOHYAMA

Keyword(s):

Grain Boundaries ◽

First Principles ◽

First Principles Study

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First-principles study of vacancy interaction with grain boundaries of tungsten under tensile strains

Computational Materials Science ◽

10.1016/j.commatsci.2021.110760 ◽

2021 ◽

Vol 200 ◽

pp. 110760

Author(s):

Quan-Fu Han ◽

Yuheng Wang ◽

Ying Zhang ◽

Shengfeng Yang

Keyword(s):

Grain Boundaries ◽

First Principles ◽

First Principles Study ◽

Tensile Strains

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First-principles study of impurity segregation in zirconia, hafnia, and yttria-stabilized-zirconia grain boundaries

Journal of the European Ceramic Society ◽

10.1016/j.jeurceramsoc.2019.04.039 ◽

2019 ◽

Vol 39 (13) ◽

pp. 3812-3820

Author(s):

Maziar Behtash ◽

Joseph Wong ◽

Sicong Jiang ◽

Jian Luo ◽

Kesong Yang

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

First Principles Study ◽

Impurity Segregation

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First-principles study of twin grain boundaries in epitaxial BaSi2 on Si(111)

Journal of Applied Physics ◽

10.1063/1.4961603 ◽

2016 ◽

Vol 120 (8) ◽

pp. 085311 ◽

Cited By ~ 18

Author(s):

Masakazu Baba ◽

Masanori Kohyama ◽

Takashi Suemasu

Keyword(s):

Grain Boundaries ◽

First Principles ◽

First Principles Study

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First-Principles Study of the Tensile Strength and Fracture of SiC Grain Boundaries

24th Annual Conference on Composites, Advanced Ceramics, Materials, and Structures: A: Ceramic Engineering and Science Proceedings, Volume 21, Issue 3 - Ceramic Engineering and Science Proceedings ◽

10.1002/9780470294628.ch29 ◽

2008 ◽

pp. 251-258

Author(s):

Masanori Kohyama

Keyword(s):

Tensile Strength ◽

Grain Boundaries ◽

First Principles ◽

First Principles Study

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