Conductance bistability in a single porphyrin molecule in a STM junction: A many-body simulation study

Journal of Physical Chemistry C

Volumn 111, Issue 26, 2007, Pages 9516-9521

  Maddox, Jeremy B ^a   Harbola, Upendra ^a   Mayoral, Kenny ^a   Mukamel, Shaul ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGED STATES; CONDUCTANCE SPECTRUM; CONFIGURATION INTERACTION;

COMPUTER SIMULATION; ELECTRIC CONDUCTANCE; HYSTERESIS; MAGNESIUM COMPOUNDS;

PORPHYRINS;

EID: 34547465640     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp067586h     Document Type: Article

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39. 20 however, we adopt a more approximate approach and take it to be simply proportional to an overlap.
40. The experimental conductance curves for MgP are described as follows; see ref 6. In the neutral state, the MgP molecule exhibits negligible conductance in the bias range of -1.5-0.55 V. Beyond 0.55 V, the conductance increases smoothly but then sharply drops around 0.85 V; the sudden drop is attributed to the MgP accepting an extra electron. As the bias is scanned further, an additional peak at 1.5 V is found. Evidence that MgP is charged is found when the bias is scanned in the reverse direction, and the onset of the first peak is shifted up by 0.15 V, and the conductance is dramatically reduced. At negative values, the conductance begins to smoothly increase around -0.45 V (this peak is not observed for the neutral charge state) but then sharply drops to 0 at around -1.0 V; this is attributed to a discharging event. No peaks are observed at larger negative bias values down to -1.5 V. The charging/discharging cycle can be performed repeatedly such that statistics can be made on the threshold bias required for charging/discharging to occur. Additionally, the threshold bias required to switch from one charge state to the other is effected by the frequency and intensity of a CW laser field and the position of the STM tip.
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