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Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes

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Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes. / Garcia-Suarez, V. M. ; Rocha, A. R.; Bailey, S. W. et al.
In: Physical review B, Vol. 72, No. 4, 045437, 07.2005, p. -.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Garcia-Suarez, VM, Rocha, AR, Bailey, SW, Lambert, CJ, Sanvito, S & Ferrer, J 2005, 'Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes', Physical review B, vol. 72, no. 4, 045437, pp. -. https://doi.org/10.1103/PhysRevB.72.045437

APA

Garcia-Suarez, V. M., Rocha, A. R., Bailey, S. W., Lambert, C. J., Sanvito, S., & Ferrer, J. (2005). Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes. Physical review B, 72(4), -. Article 045437. https://doi.org/10.1103/PhysRevB.72.045437

Vancouver

Garcia-Suarez VM, Rocha AR, Bailey SW, Lambert CJ, Sanvito S, Ferrer J. Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes. Physical review B. 2005 Jul;72(4):-. 045437. doi: 10.1103/PhysRevB.72.045437

Author

Garcia-Suarez, V. M. ; Rocha, A. R. ; Bailey, S. W. et al. / Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes. In: Physical review B. 2005 ; Vol. 72, No. 4. pp. -.

Bibtex

@article{09f71c41c7084e57be1bccb138ddf694,
title = "Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes",
abstract = "We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arrangement where the molecule is placed perpendicular to the electrodes is unstable for all distances between electrodes. In contrast, the configuration where the molecule bridges the electrodes is stable in a wide range of distances. In this last case the bonding state of the molecule does not hybridize with the leads and remains localized within the junction. As a result, this state does not transmit charge so that electronic transport is carried only through the antibonding state. This fact leads to conductances of 1G(0) at most, where G(0)=2e(2)/h. We indeed find that G is equal to 0.9 and 0.6G(0) for Pt and Pd contacts, respectively.",
author = "Garcia-Suarez, {V. M.} and Rocha, {A. R.} and Bailey, {S. W.} and Lambert, {C. J.} and S. Sanvito and J. Ferrer",
year = "2005",
month = jul,
doi = "10.1103/PhysRevB.72.045437",
language = "English",
volume = "72",
pages = "--",
journal = "Physical review B",
issn = "1550-235X",
publisher = "AMER PHYSICAL SOC",
number = "4",

}

RIS

TY - JOUR

T1 - Single-channel conductance of H-2 molecules attached to platinum or palladium electrodes

AU - Garcia-Suarez, V. M.

AU - Rocha, A. R.

AU - Bailey, S. W.

AU - Lambert, C. J.

AU - Sanvito, S.

AU - Ferrer, J.

PY - 2005/7

Y1 - 2005/7

N2 - We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arrangement where the molecule is placed perpendicular to the electrodes is unstable for all distances between electrodes. In contrast, the configuration where the molecule bridges the electrodes is stable in a wide range of distances. In this last case the bonding state of the molecule does not hybridize with the leads and remains localized within the junction. As a result, this state does not transmit charge so that electronic transport is carried only through the antibonding state. This fact leads to conductances of 1G(0) at most, where G(0)=2e(2)/h. We indeed find that G is equal to 0.9 and 0.6G(0) for Pt and Pd contacts, respectively.

AB - We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arrangement where the molecule is placed perpendicular to the electrodes is unstable for all distances between electrodes. In contrast, the configuration where the molecule bridges the electrodes is stable in a wide range of distances. In this last case the bonding state of the molecule does not hybridize with the leads and remains localized within the junction. As a result, this state does not transmit charge so that electronic transport is carried only through the antibonding state. This fact leads to conductances of 1G(0) at most, where G(0)=2e(2)/h. We indeed find that G is equal to 0.9 and 0.6G(0) for Pt and Pd contacts, respectively.

U2 - 10.1103/PhysRevB.72.045437

DO - 10.1103/PhysRevB.72.045437

M3 - Journal article

VL - 72

SP - -

JO - Physical review B

JF - Physical review B

SN - 1550-235X

IS - 4

M1 - 045437

ER -