TY - JOUR
T1 - A Hückel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire
AU - Collepardo-Guevara, Rosana
AU - Walter, Derek
AU - Neuhauser, Daniel
AU - Baer, Roi
N1 - Funding Information:
The authors acknowledge gratefully the support of the PRF, NSF and the Israel Science Foundation.
PY - 2004/8/1
Y1 - 2004/8/1
N2 - We use Hückel theory to examine interference effects on conductance of a wire when a 'lollypop' side-chain is bonded to it, acting as a resonance cavity. A clear signature of interference is found at these ballistic conducting systems, stronger in small systems. Gating effects are enhanced by the presence of the loop, where the electronic wavefunctions can experience large changes in phase. Using an 'interference index', I=mod(S,2)+mod(L,4), where S,L are stick and loop lengths, respectively, we conclude that interference is constructive (destructive) and conductance high (low) when I=0,4(I=2).
AB - We use Hückel theory to examine interference effects on conductance of a wire when a 'lollypop' side-chain is bonded to it, acting as a resonance cavity. A clear signature of interference is found at these ballistic conducting systems, stronger in small systems. Gating effects are enhanced by the presence of the loop, where the electronic wavefunctions can experience large changes in phase. Using an 'interference index', I=mod(S,2)+mod(L,4), where S,L are stick and loop lengths, respectively, we conclude that interference is constructive (destructive) and conductance high (low) when I=0,4(I=2).
UR - http://www.scopus.com/inward/record.url?scp=3242880935&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2004.06.042
DO - 10.1016/j.cplett.2004.06.042
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AN - SCOPUS:3242880935
SN - 0009-2614
VL - 393
SP - 367
EP - 371
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -