CALCULATION OF THE ENERGIES OF CORE STRUCTURES OF THE 1/2(111) SCREW DISLOCATION IN BCC MO BY THE TIGHT-BINDING RECURSION METHOD

被引：5

作者：

KIMURA, K ^{[1
]}

TAKEUCHI, S ^{[1
]}

MASUDAJINDO, K ^{[1
]}

机构：

[1] TOKYO INST TECHNOL,DEPT MAT SCI & ENGN,MIDORI KU,YOKOHAMA,KANAGAWA 227,JAPAN

来源：

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES | 1989年 / 60卷 / 06期

关键词：

D O I：

10.1080/01418618908212010

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：667 / 679

页数：13

共 48 条

[21] INTERACTION ENERGY BETWEEN A SELF-INTERSTITIAL AND A (1/2)(111) SCREW DISLOCATION IN BCC TRANSITION-METALS
MASUDA, K
SUGANO, Y
SATO, A
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1980, 48 (04) : 1233 - 1236
[22] SCATTERING OF TIGHT-BINDING ELECTRONS OFF SCREW DISLOCATIONS .2. ANALYSIS OF NUMERICAL-SOLUTION AND STUDY OF INFLUENCE OF AN ISOLATED DISLOCATION
KAWAMURA, K
YOSIDA, Y
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1979, 34 (04): : 369 - 373
[23] CALCULATION OF CORE STRUCTURE AND CORE ENERGY OF 1/2 [111] (110) AND 1/2[111] (112) EDGE DISLOCATIONS IN A BCC TRANSITION-METAL - MOMENTS APPROACH
MASUDA, K
KOBAYASHI, K
SATO, A
MORI, T
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1981, 43 (01): : 19 - 28
[24] ELECTRONIC STRUCTURES OF POLYMERS USING TIGHT-BINDING APPROXIMATION .1. POLYETHYLENE BY EXTENDED HUCKEL METHOD
IMAMURA, A
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06): : 3168 - &
[25] ELECTRONIC STRUCTURES OF POLYMERS USING TIGHT-BINDING APPROXIMATION .2. POLYETHYLENE AND POLYGLYCINE BY CNDO METHOD
FUJITA, H
IMAMURA, A
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12): : 4555 - +
[26] CALCULATION OF ATOMIC RELAXATION NEAR THE (111) 1X1 SURFACE OF COVALENT SEMICONDUCTORS - TIGHT-BINDING GREEN-FUNCTION APPROACH
MASUDA, K
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1981, 107 (02): : 529 - 533
[27] Validation of the density-functional based tight-binding approximation method for the calculation of reaction energies and other data -: art. no. 114110
Krüger, T
Elstner, M
Schiffels, P
Frauenheim, T
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (11):
[28] Electronic structures of Wurtzite GaN, InN and their alloy Ga1-xInxN calculated by the tight-binding method
Yang, Tao
Nakajima, Sadanojo
Sakai, Shiro
Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes & Review Papers, 1995, 34 (11): : 5912 - 5921
[29] Electronic structures of wurtzite GaN, InN and their alloy Ga1-xInxN calculated by the tight-binding method
Yang, T
Nakajima, S
Sakai, S
JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1995, 34 (11): : 5912 - 5921
[30] The non-degenerate core structure of a 1/2⟨111⟩ screw dislocation in bcc transition metals modelled using Finnis-Sinclair potentials: The necessary and sufficient conditions
Chiesa, S.
Gilbert, M. R.
Dudarev, S. L.
Derlet, P. M.
Van Swygenhoven, H.
PHILOSOPHICAL MAGAZINE, 2009, 89 (34-36) : 3235 - 3243

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