Ab initio study of symmetrical tilt grain boundaries in bcc Fe: Structural units, magnetic moments, interfacial bonding, local energy and local stress

Journal of Physics Condensed Matter

Volumn 25, Issue 13, 2013, Pages

  Bhattacharya, Somesh Kr ^a   Tanaka, Shingo ^a   Shiihara, Yoshinori ^b   Kohyama, Masanori ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORIES (DFT); ELECTRONIC AND MAGNETIC PROPERTIES; FIRST PRINCIPLE CALCULATIONS; LOCAL DENSITY OF STATE; LOCAL STRESS ANALYSIS; OPTIMIZED STRUCTURES; REDUCED MAGNETIC MOMENTS; STRUCTURAL STABILITIES;

ATOMS; BONDING; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; GRAIN BOUNDARIES; STABILITY; STRESS ANALYSIS;

MAGNETIC MOMENTS;

EID: 84875180148     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/13/135004     Document Type: Article

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