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Volumn 80, Issue 9, 2009, Pages

Atomic-scale segregation behavior of Pr at a ZnO [0001] Σ49 tilt grain boundary

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EID: 70349976286     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.094114     Document Type: Article
Times cited : (23)

References (30)
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    • edited by P. G. Merli, G. Calestani, and M. Vittori-Antisari (Academic Press, London
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    • It is considered that Zn at 2 and 3 of the undoped ZnO GB has four nearest neighbor O. Thus, the longer Pr-O bonds were formed with replacing the Zn with Pr. Distance between the Zn and the O was ∼2.70, which was longer than length of Zn-O bonds in ZnO bulk by more than 34%. On the other hand, lengths of the longer Pr-O bonds (∼2.50 or ∼2.51) for Pr(2) and Pr(3) was similar to those of Pr-O bonds in Pr2 O3 bulks.
    • It is considered that Zn at 2 and 3 of the undoped ZnO GB has four nearest neighbor O. Thus, the longer Pr-O bonds were formed with replacing the Zn with Pr. Distance between the Zn and the O was ∼2.70, which was longer than length of Zn-O bonds in ZnO bulk by more than 34%. On the other hand, lengths of the longer Pr-O bonds (∼2.50 or ∼2.51) for Pr(2) and Pr(3) was similar to those of Pr-O bonds in Pr2 O3 bulks.


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