Impact of dimerization and stretching on the transport properties of molybdenum atomic wires

Details Impact of dimerization and stretching on the transport properties of molybdenum atomic wires Impact of dimerization and stretching on the transport properties of molybdenum atomic wires

2010-02-08

arxiv.org/abs/1002.1680v1

Nanotechnology 21, 095205 (2010)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

8 pages, 7 figures

Scientific paper

10.1088/0957-4484/21/9/095205

We study the electrical and transport properties of monoatomic Mo wires with different structural characteristics. We consider first periodic wires with inter-atomic distances ranging between the dimerized wire to that formed by equidistant atoms. We find that the dimerized case has a gap in the electronic structure which makes it insulating, as opposed to the equidistant or near-equidistant cases which are metallic. We also simulate two conducting one-dimensional Mo electrodes separated by a scattering region which contains a number of dimers between 1 and 6. The $I-V$ characteristics strongly depend on the number of dimers and vary from ohmic to tunneling, with the presence of different gaps. We also find that stretched chains are ferromagnetic.

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