Comparison of trig -BC 11 ’s cohesive energy with those reported for trig -BC 5 [ 32 ] and trig-BC 7 [ 33 ] shows a clear trend of decreasing E coh /atom with increasing boron content: −2.49 eV (diamond) < −2.33 eV (BC 11 : 8.3 at% B) < −2.24 eV (BC 7 : 12.5 at% B) < −2.16 eV (BC 5 : 16.7 at% B).
← all excerpts
Prediction of Novel Ultrahard Phases in the B-C-N System from First Principles: Progress and Problems.
1
—
—