Table 1 Positions for the first two peaks of the PDFs and pPDF for all samples.

From: Ab initio study of the vibrational spectra of amorphous boron nitride

Peak (Å)

1st peak

2nd peak

Density (g cm−3)

2.04

2.80

3.48

2.04

2.80

3.48

PDF total

1.45

1.55

1.55

2.65

2.65

2.55

pPDF

N–N

1.25

1.35

1.45

2.55

2.55

2.45

B-N

1.45

1.55

1.55

2.85

2.85

2.85

B-B

1.75

1.85

1.85*

2.55

2.65

2.55

  1. *The first peak position of the 3.48 g cm−3 sample was not clearly identifiable and the peak finder tool from Origin software was employed to report this value.
Back to article page