Figures and tables index
From the following article
Anderson Janotti and Chris G. Van de Walle
Nature Materials 6, 44 - 47 (2007)
doi:10.1038/nmat1795
Figure 1
Coupling between the H 1s orbital and the Zn 4s 'dangling bonds' (Zn dbs) to form the hydrogen multicentre bond in ZnO.
Full size figure and legend (24 KB)Figure 2
Calculated DOS of hydrogen in the multicentre bond configuration HO in ZnO and MgO.
Full size figure and legend (56 KB)Figure 3
Three-dimensional visualization of the hydrogen multicentre bonds in ZnO and MgO.
Full size figure and legend (47 KB)Figure 4
Formation energy of substitutional hydrogen in ZnO and MgO.
Full size figure and legend (52 KB)