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Volumn 78, Issue 18, 2008, Pages

First-principles study of microscopic properties of the Nb antisite in LiNbO3: Comparison to phenomenological polaron theory

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EID: 57349161217     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.184108     Document Type: Article
Times cited : (73)

References (38)
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    • Our calculated band gap is indirect: CBM at Γ point (0,0,0), and VBM at the region between Γ and T points (1/2,1/2,1/2). However, we note that LiNbO3 is approximately regarded as a direct band gap (Ref.) since the eigenvalue difference of Γ and VBM is very small, 0.02 eV.
    • Our calculated band gap is indirect: CBM at Γ point (0,0,0), and VBM at the region between Γ and T points (1/2,1/2,1/2). However, we note that LiNbO3 is approximately regarded as a direct band gap (Ref.) since the eigenvalue difference of Γ and VBM is very small, 0.02 eV.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.