文摘
On the basis of density functional theory and nonequilibrium Green鈥檚 function technique, we have presented theoretical results on transport properties of B- and N-doped aGNR p鈥搉 junction. The current鈥搗oltage characteristic of this system indicates robust negative differential resistance (NDR) behavior of it. Meanwhile, that p鈥搉 junction diode can be utilized as a highly efficient voltage rectifier. The calculations also reveal that the voltage rectifying efficiency can be highly enhanced by forming a tandem diode by connecting two single diodes in series. The variation of transport properties on the width of aGNR is also investigated. The NDR phenomena as well as the rectifying property can be well explained on the basis of relative shifting of discrete energy states of the conjugate system with applied bias, which in turn explains very strong coupling between the p and n regions of the diode.