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Volumn 81, Issue 7, 2010, Pages

Ab initio local stress and its application to Al (111) surfaces

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EID: 77954885259     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.075441     Document Type: Article
Times cited : (60)

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    • In addition, the present scheme can uniquely determine such a region Vi in Eq. to define the local stress while the scheme in Ref. uses an ambiguous local region for the exchange-correlation terms coupled with the decomposition of the other energy and stress terms into local atomic-orbital basis. This ambiguity is not a problem when considering the layer-by-layer contribution to the surface stress but it becomes considerably impeditive when one try to develop the local stress scheme aiming for a three-dimensional local stress analysis.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.