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Electronic Transport Through N24B24 Molecular Junction
Mojtaba Yaghobi,Mohammad Ali Ramzanpour,Mohammad Reza Nyazian
Author NameAffiliationE-mail
Mojtaba Yaghobi Ayatollah Amoli Branch, Islamic Azad University, Amol, Iran m.yaghoubi@iauamol.ac.ir 
Mohammad Ali Ramzanpour Ayatollah Amoli Branch, Islamic Azad University, Amol, Iran  
Mohammad Reza Nyazian Ayatollah Amoli Branch, Islamic Azad University, Amol, Iran  
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.
Key words:  Boron  Nitride  Cage  Electronic transport  Non-equilibrium Green's function
FundProject:
N24B24分子结的电子传输
MojtabaYaghobi,MohammadAliRamzanpour,MohammadRezaNyazian
摘要:
利用GW近似和非平衡格林函数结合的方法 研究了耦合到两个金属触点的N24B24分子的电子传输性. 计算结果表明,在单个和多个原子触点的态密度曲线上分别出现四个和三个谐振隧峰. 在I-V特性曲线上出现断路状态和微分负阻效应. 对于一、四、六、八原子的触点在电压分别在 ∓4.5、∓4、∓4.6、∓4.3 V表现出微分负阻效应行为. I-V特性在以低电压断开状态,呈独立的触点类型. I-V曲线取决于触点类型,并且表明N24B24分子呈现半导体的特性.
关键词:    氮化物    电子传输  非平衡格林函数
DOI:10.1063/1674-0068/29/cjcp1504082
分类号: