TY - JOUR
T1 - Carbon
T2 - The nature of the liquid state
AU - Galli, Giulia
AU - Martin, Richard M.
AU - Car, Roberto
AU - Parrinello, Michele
PY - 1989/1/1
Y1 - 1989/1/1
N2 - The liquid state of carbon at low pressure is investigated wtih a first-principles molecular dynamics simulation. Its controversial electronic properties are elucidated in terms of density of states and conductivity calculations, showing that the system is a metal, in agreement with experiments reported last year. Furthermore, an accurate analysis of the atomic structure indicates that the liquid is composed of two-fold, three-fold, and four-fold coordinated atoms, which display different bonding properties.
AB - The liquid state of carbon at low pressure is investigated wtih a first-principles molecular dynamics simulation. Its controversial electronic properties are elucidated in terms of density of states and conductivity calculations, showing that the system is a metal, in agreement with experiments reported last year. Furthermore, an accurate analysis of the atomic structure indicates that the liquid is composed of two-fold, three-fold, and four-fold coordinated atoms, which display different bonding properties.
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U2 - 10.1103/PhysRevLett.63.988
DO - 10.1103/PhysRevLett.63.988
M3 - Article
C2 - 10041240
AN - SCOPUS:0000573403
SN - 0031-9007
VL - 63
SP - 988
EP - 991
JO - Physical review letters
JF - Physical review letters
IS - 9
ER -