Gettering Mechanism of 3d Transition Metals Studied by First Principles Calculation

2007 ◽  
Author(s):  
Kazuhito Matsukawa ◽  
Koun Shirai ◽  
Hiroshi Katayama-Yoshida
Keyword(s):  
Transition Metals ◽  
First Principles ◽  
First Principles Calculation

First-principles calculation of the KLL Auger transition energy in 3d transition metals

2004 ◽  
Vol 137-140 ◽  
pp. 451-455 ◽  
Author(s):  
T. Ishii ◽  
L. Kövér ◽  
Z. Berényi ◽  
I. Cserny ◽  
H. Ikeno ◽  
...  
Keyword(s):  
Transition Metals ◽  
First Principles ◽  
Transition Energy ◽  
First Principles Calculation ◽  
Auger Transition

scholarly journals Systematic Investigation of Gettering Effects on 4th Row Element Impurities in Si by Dopant Atoms

2009 ◽  
Vol 2009 ◽  
pp. 1-3 ◽  
Author(s):  
Koji Sueoka ◽  
Ken Kamimura ◽  
Seiji Shiba
Keyword(s):  
Binding Energy ◽  
Transition Metals ◽  
Diffusion Barrier ◽  
First Principles ◽  
Systematic Investigation ◽  
First Principles Calculation ◽  
Light Elements ◽  
Impurity Atoms ◽  
Dopant Atoms ◽  
P Type

The gettering of 4th row element impurities (K, Ca, 3d transition metals, and Zn) in Si crystals by dopant atoms was systematically investigated by first-principles calculation through evaluation of the diffusion barrier and the binding energy. The dopant atoms considered include p-type dopants (B), n-type dopants (P, As, Sb), or light elements (C, O). It was found that (1) the diffusion barrier of impurity atoms decreases with an increase in their atomic number up to Ni, (2) B atom becomes an efficient gettering center for metals except for Ni, (3) most of the metals except for Fe and Co cannot be gettered by n-type dopants, and (4) C and O atoms alone do not become efficient gettering centers for the metals used in actual LSI processes. The vacancy and n-type dopant complexes (P, As, Sb) can be efficient gettering centers for Cu in n/n+ epitaxial wafers.

scholarly journals First Principles Calculation of Optical Properties of Transition Metals for Surface Plasmon Resonance Application

2020 ◽  
Vol 18 (0) ◽  
pp. 133-138
Author(s):  
Muhammad Arifin ◽  
Takahiro Matsumoto ◽  
Abdul-Muizz Pradipto ◽  
Toru Akiyama ◽  
Tomonori Ito ◽  
...  
Keyword(s):  
Optical Properties ◽  
Surface Plasmon Resonance ◽  
Transition Metals ◽  
Surface Plasmon ◽  
Plasmon Resonance ◽  
First Principles ◽  
First Principles Calculation

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra
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