TY - JOUR
T1 - Structural and electronic properties of amorphous carbon
AU - Galli, Giulia
AU - Martin, Richard M.
AU - Car, Roberto
AU - Parrinello, Michele
PY - 1989
Y1 - 1989
N2 - An amorphous carbon structure is obtained with a computer simulation based on a first-principles molecular-dynamics method, in which the interatomic potential is constructed directly from the electronic ground state, using density-functional techniques. From our results, which agree well with the limited experimental information available, we analyze the short-range order, particularly the fractions of sp2 and sp3 sites, together with the electronic properties.
AB - An amorphous carbon structure is obtained with a computer simulation based on a first-principles molecular-dynamics method, in which the interatomic potential is constructed directly from the electronic ground state, using density-functional techniques. From our results, which agree well with the limited experimental information available, we analyze the short-range order, particularly the fractions of sp2 and sp3 sites, together with the electronic properties.
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U2 - 10.1103/PhysRevLett.62.555
DO - 10.1103/PhysRevLett.62.555
M3 - Article
C2 - 10040265
AN - SCOPUS:0001437126
SN - 0031-9007
VL - 62
SP - 555
EP - 558
JO - Physical review letters
JF - Physical review letters
IS - 5
ER -