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Volumn 101, Issue 8, 2007, Pages

First-principles investigation of 3d transition elements in L 10 TiAl

Author keywords

[No Author keywords available]

Indexed keywords

ALLOYING ELEMENTS; BOND STRENGTH (CHEMICAL); CRYSTAL LATTICES; DENSITY FUNCTIONAL THEORY; DUCTILITY; PHASE TRANSITIONS; THREE DIMENSIONAL; TRANSITION METALS;

EID: 34247644474     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2717143     Document Type: Conference Paper
Times cited : (10)

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    • Considering that Fe, Co, and Ni are ferromagnetic material, we also have adopted the spin-polarized wave functions in DMol relaxation, and it is found that there is only a slight change of lattice distortion in comparison with the results obtained here. From this, we infer that our DMol relaxation with unspin-polarized wave functions can be used.
    • Considering that Fe, Co, and Ni are ferromagnetic material, we also have adopted the spin-polarized wave functions in DMol relaxation, and it is found that there is only a slight change of lattice distortion in comparison with the results obtained here. From this, we infer that our DMol relaxation with unspin-polarized wave functions can be used.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.