Fig. 1
From: First-Principles insights into group-V impurities and their impact on germanium detector performance
(a) The 216 atoms supercell of Ge constructed from its conventional unit cell. The supercell is zoomed in near the defect site, D, to provide a clear view of the nearest Ge atoms bonded to D. In the zoomed figure, \(\textrm{b}_1\), \(\textrm{b}_2\), \(\textrm{b}_3\), and \(\textrm{b}_4\) show the bond length of the Ge atom at site D with its nearest neighbors. For a pristine supercell of Ge, \(\textrm{b}_1\)=\(\textrm{b}_2\)=\(\textrm{b}_3\)=\(\textrm{b}_4\)=2.45 Å, (b) Ge vacancy (\(\mathrm V_{Ge}\)), and (c) P substitutional defect at D (\(\mathrm P_{Ge}\)). The gray and blue spheres represent Ge and P atoms, respectively.
