Ab Initio Local-Energy and Local-Stress Calculations for Materials Science and Engineering
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This article is published in Materials Transactions.The article was published on 2021-01-01 and is currently open access. It has received 10 citations till now. The article focuses on the topics: Ab initio & Stress (mechanics).read more
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Electrons at the Fermi Surface
TL;DR: In this paper, the de Haas-van Alphen effect in dilute alloys has been studied and a generalized path-integral approach to transport problems has been proposed to solve the transport problems.
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Insight into segregation sites for oxygen impurities at grain boundaries in silicon
Yutaka Ohno,Jie Ren,Shingo Tanaka,Masanori Kohyama,Koji Inoue,Yasuo Shimizu,Yasuyoshi Nagai,Hideto Yoshida +7 more
TL;DR: In this paper, the three-dimensional distribution of oxygen atoms segregated at Σ9{114} grain boundaries (GBs) in Czochralski-grown silicon ingots is analyzed within a high spatial resolution of less than 0.5 nm by atom probe tomography combined with a focused ion beam (FIB) operated at −150 °C.
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First-principles computational tensile test of γ-Fe grain boundaries considering the effect of magnetism: Electronic origin of grain boundary embrittlement due to Zn segregation
TL;DR: In this article , first-principles computational tensile tests (FPCTT) were conducted on paramagnetic-Fe grain boundaries to elucidate the mechanism of GB embrittlement due to Zn segregation.
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Analysis of grain boundary embrittlement by Cu and Sn in paramagnetic γ−Fe by first-principles computational tensile test
TL;DR: In this paper , first-principles computational tensile tests (FPCTTs) were performed on paramagnetic \ensuremath{\gamma}-Fe grain boundaries (GBs) in the antiferromagnetic double-layer (AFMD) configuration.
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Segregation mechanism of arsenic dopants at grain boundaries in silicon
Yutaka Ohno,Tatsuya Yokoi,Yasuo Shimizu,Yasuo Shimizu,Jie Ren,Koji Inoue,Yasuyoshi Nagai,Kentaro Kutsukake,Kozo Fujiwara,Atsutomo Nakamura,Katsuyuki Matsunaga,Hideto Yoshida +11 more
TL;DR: In this paper, the three-dimensional distribution of arsenic dopants at Σ3{111, Σ9{221], Σ 9{114, and Σ8{111}/{115} grain boundaries in silicon (Si) was examined by correlative analytical methods using ato...
References
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Book
Atoms in molecules : a quantum theory
TL;DR: In this article, the quantum atom and the topology of the charge desnity of a quantum atom are discussed, as well as the mechanics of an atom in a molecule.
Electrons at the Fermi Surface
TL;DR: In this paper, the de Haas-van Alphen effect in dilute alloys has been studied and a generalized path-integral approach to transport problems has been proposed to solve the transport problems.
Book
Electrons at the Fermi surface
TL;DR: In this article, the de Haas-van Alphen effect in dilute alloys has been studied and a generalized path-integral approach to transport problems has been proposed to solve the transport problems.
Book
Atomic and Electronic Structure of Surfaces: Theoretical Foundations
Michel Lannoo,P. Friedel +1 more
TL;DR: In this paper, the electronic structure of a semiconductor surface is calculated by using the transition metal transition metal (TMS) transition metal surface phase and the surface phonons of compound semiconductors.