Research output: Contribution to Journal/Magazine › Journal article
Research output: Contribution to Journal/Magazine › Journal article
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TY - JOUR
T1 - Conductance Oscillations in Zigzag Platinum Chains.
AU - Garcia-Suarez, Victor
AU - Rocha, A. R.
AU - Bailey, S. W.
AU - Lambert, C. J.
AU - Sanvito, S.
AU - Ferrer, J.
PY - 2005/12/15
Y1 - 2005/12/15
N2 - Using first principles simulations we perform a detailed study of the structural, electronic, and transport properties of monatomic platinum chains, sandwiched between platinum electrodes. First, we demonstrate that the most stable atomic configuration corresponds to a zigzag arrangement that gradually straightens as the chains are stretched. Second, we find that the averaged conductance shows slight parity oscillations with the number n of atoms in the chain. Additionally, the conductance of chains of fixed n oscillates as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.
AB - Using first principles simulations we perform a detailed study of the structural, electronic, and transport properties of monatomic platinum chains, sandwiched between platinum electrodes. First, we demonstrate that the most stable atomic configuration corresponds to a zigzag arrangement that gradually straightens as the chains are stretched. Second, we find that the averaged conductance shows slight parity oscillations with the number n of atoms in the chain. Additionally, the conductance of chains of fixed n oscillates as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.
U2 - 10.1103/PhysRevLett.95.256804
DO - 10.1103/PhysRevLett.95.256804
M3 - Journal article
VL - 95
JO - Physical review letters
JF - Physical review letters
IS - 25
M1 - 256804
ER -