Figure 1
From: Ab initio study of the vibrational spectra of amorphous boron nitride
Total PDFs for our undermelt-quench (U-Q, shaded curves) and the melt-and-quench (M-Q, dashed curves) methods corresponding to the samples of density (a) 2.04 g cm−3 (black), (b) 2.80 g cm−3 (red), and (c) 3.48 g cm−3 (blue). The PDFs for the c-BN (green) and the h-BN (orange) crystalline structures are shown for comparison. Final supercells for the U-Q (solid lattice lines) and the M-Q (broken lattice lines) methods are shown in the insets.
