TY - JOUR
T1 - (formula presented) real-space method for ab initio quantum transport calculations
T2 - Application to carbon nanotube–metal contacts
AU - Fattebert, J. L.
AU - Nardelli, Marco Buongiorno
AU - Bernholc, J.
PY - 2001
Y1 - 2001
N2 - We present an ab initio (formula presented) method that combines an accurate optimized-orbital solution of the electronic structure problem with an efficient Green’s function technique for evaluating the quantum conductance. As an important illustrative example, we investigate carbon nanotube–metal contacts and explain the anomalously large contact resistance observed in nanotube devices as due to the spatial separation of their conductance eigenchannels. The results for various contact geometries and strategies for improving device performance are discussed.
AB - We present an ab initio (formula presented) method that combines an accurate optimized-orbital solution of the electronic structure problem with an efficient Green’s function technique for evaluating the quantum conductance. As an important illustrative example, we investigate carbon nanotube–metal contacts and explain the anomalously large contact resistance observed in nanotube devices as due to the spatial separation of their conductance eigenchannels. The results for various contact geometries and strategies for improving device performance are discussed.
UR - http://www.scopus.com/inward/record.url?scp=85038320666&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.64.245423
DO - 10.1103/PhysRevB.64.245423
M3 - Article
AN - SCOPUS:85038320666
SN - 1098-0121
VL - 64
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 24
ER -