Mojtaba Yaghobi, Mohammad Ali Ramzanpour, Mohammad Reza Nyazian. Electronic Transport Through N24B24 Molecular Junction[J]. Chinese Journal of Chemical Physics , 2016, 29(2): 223-228. doi: 10.1063/1674-0068/29/cjcp1504082
Citation: Mojtaba Yaghobi, Mohammad Ali Ramzanpour, Mohammad Reza Nyazian. Electronic Transport Through N24B24 Molecular Junction[J]. Chinese Journal of Chemical Physics , 2016, 29(2): 223-228. doi: 10.1063/1674-0068/29/cjcp1504082

Electronic Transport Through N24B24 Molecular Junction

doi: 10.1063/1674-0068/29/cjcp1504082
  • Received Date: 2015-04-25
  • Rev Recd Date: 2016-03-02
  • We have investigated the electron transport properties of a N24B24 molecule coupled to two metallic contacts with a combination of GW approximation and the non-equilibrium Green's-function technique. The calculations indicate that the four and three resonant tunneling peaks are seen for the density of states (DOS) curves in the cases of single and multiple atomic contacts, respectively. The off state and negative di erential resistance (NDR) effect are observed in the I-V characteristics of the N24B24 molecule. The NDR behavior is also observed in voltages of about ∓4.5, ∓4, ∓4.6, and ∓4.3 V for one, four, six, and eight atomic contacts. Also, the I-V characteristics of N24B24 are in off state at low voltages that is independent of the contact types. The current curves against the gate voltage depend on contact types and indicate that N24B24 molecule behaves as a semiconductor.
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Electronic Transport Through N24B24 Molecular Junction

doi: 10.1063/1674-0068/29/cjcp1504082

Abstract: We have investigated the electron transport properties of a N24B24 molecule coupled to two metallic contacts with a combination of GW approximation and the non-equilibrium Green's-function technique. The calculations indicate that the four and three resonant tunneling peaks are seen for the density of states (DOS) curves in the cases of single and multiple atomic contacts, respectively. The off state and negative di erential resistance (NDR) effect are observed in the I-V characteristics of the N24B24 molecule. The NDR behavior is also observed in voltages of about ∓4.5, ∓4, ∓4.6, and ∓4.3 V for one, four, six, and eight atomic contacts. Also, the I-V characteristics of N24B24 are in off state at low voltages that is independent of the contact types. The current curves against the gate voltage depend on contact types and indicate that N24B24 molecule behaves as a semiconductor.

Mojtaba Yaghobi, Mohammad Ali Ramzanpour, Mohammad Reza Nyazian. Electronic Transport Through N24B24 Molecular Junction[J]. Chinese Journal of Chemical Physics , 2016, 29(2): 223-228. doi: 10.1063/1674-0068/29/cjcp1504082
Citation: Mojtaba Yaghobi, Mohammad Ali Ramzanpour, Mohammad Reza Nyazian. Electronic Transport Through N24B24 Molecular Junction[J]. Chinese Journal of Chemical Physics , 2016, 29(2): 223-228. doi: 10.1063/1674-0068/29/cjcp1504082
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