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Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a carbon nanowire which is connected to ferromagnetic electrodes. The molecule itself is…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak , Gloria Platero

The electronic property of NiFe$_2$O$_4$ nanowire device is investigated through nonequilibrium Green's functions (NEGF) in combination with density functional theory (DFT). The electronic transport properties of NiFe$_2$O$_4$ nanowire are…

Mesoscale and Nanoscale Physics · Physics 2017-07-03 V. Nagarajan , R. Chandiramouli

We present the appearance of negative differential resistance (NDR) in spin-dependent electron transport through a few-atom spin-chain. A chain of three antiferromagnetically coupled Fe atoms(Fe trimer) was positioned on a Cu2N/Cu(100)…

We show that when a molecular junction is under an external bias, its properties can not be uniquely determined by the total electron density in the same manner as the density functional theory (DFT) for ground state (GS) properties. In…

Mesoscale and Nanoscale Physics · Physics 2013-11-26 Shuanglong Liu , Yuan Ping Feng , Chun Zhang

Graphene's isolation launched explorations of fundamental relativistic physics originating from the planar honeycomb lattice arrangement of the carbon atoms, and of potential technological applications in nanoscale electronics. Bottom-up…

Mesoscale and Nanoscale Physics · Physics 2015-02-13 Constantine Yannouleas , Igor Romanovsky , Uzi Landman

Two-dimensional (2D) crystals, such as graphene, hexagonal boron nitride and transitional metal dichalcogenides, have attracted tremendous amount of attention over the past decade due to their extraordinary thermal, electrical and optical…

Materials Science · Physics 2017-02-16 Y. Zhao , Z. Wan , U. Hetmaniuk , M. P. Anantram

Using the nonequilibrium Green function formalism combined with density functional theory, we study finite-bias quantum transport in Ni/Gr_n/Ni vertical heterostructures where $n$ graphene layers are sandwiched between two semi-infinite…

Mesoscale and Nanoscale Physics · Physics 2012-06-05 Kamal K. Saha , Anders Blom , Kristian S. Thygesen , Branislav K. Nikolic

By using the Kubo linear response theory with the Keldysh Green function approach, we investigate the mechanism leading to the negative differential transmission in system with the equilibrium electron density much smaller than the…

Mesoscale and Nanoscale Physics · Physics 2013-12-19 B. Y. Sun , M. W. Wu

The conductance-voltage spectrum of molecular nanostructures measured by scanning tunneling spectroscopy (STS) is generally assumed to reflect the local density of states of the molecule. This excludes the possibility of observing negative…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Yongqiang Xue , Supriyo Datta , Seunghun Hong , R. Reifenberger , Jason I. Henderson , Cliff P. Kubiak

Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a short linear wire which is connected to para- and ferromagnetic electrodes. Molecule…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Kamil Walczak

We have observed tunable negative differential resistance (NDR) in scanning tunneling spectroscopy measurements of a double layer of C60 molecules on a metallic surface. Using a simple model we show that the observed NDR behavior is…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. Grobis , A. Wachowiak , R. Yamachika , M. F. Crommie

We propose and demonstrate through first-principles calculation a new spin-dependent negative differential resistance (NDR) mechanism in magnetic tunnel junctions (MTJ) with cubic cation disordered crystals (CCDC) AlO$_x$ or…

Materials Science · Physics 2016-05-25 Jun Jiang , X. -G. Zhang , X. F. Han

We use the non-equilibrium Green function (NEGF) method in the ballistic limit to provide a quantitative description of the conductance of graphene pn junctions - an important building block for graphene electronics devices. In this paper,…

Mesoscale and Nanoscale Physics · Physics 2009-06-06 Tony Low , Seokmin Hong , Joerg Appenzeller , Supriyo Datta , Mark Lundstrom

We propose a graphene device that can generate spin-dependent negative differential resistance (NDR). The device is composed of a sufficiently wide and short graphene and two gated EuO strips deposited on top of it. This scheme avoids…

Mesoscale and Nanoscale Physics · Physics 2018-01-26 Yu Song , Yang Liu , Xiaolong Feng , Fei Yan , Wei-Zhi Zhang

With nonequilibrium Green's function approach combined with density functional theory, we perform an ab initio calculation to investigate transport properties of graphene nanoribbon junctions self-consistently. Tight-binding approximation…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 G. Yin , Y. Y. Liang , F. Jiang , H. Chen , P. Wang , R. Note , H. Mizuseki , Y. Kawazoe

We investigate the transport properties of pristine zigzag-edged borophene nanoribbons (ZBNRs) of different widths, using the fist-principles calculations. We choose ZBNRs with widths of 5 and 6 as odd and even widths. The differences of…

Materials Science · Physics 2018-03-14 Jiayi Liu , Changpeng Chen , Lu Han , Ziqing Zhu , Jinping Wu

The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green's function method combined with the density functional theory. The symmetry of the…

Mesoscale and Nanoscale Physics · Physics 2013-09-13 Yao-Jun Dong , Xue-Feng Wang , Ming-Xing Zhai , Jian-Chun Wu , Liping Zhou , Qin Han , Xue-Mei Wu

In this work we present a theoretical study of transport properties of a double crossbar junction composed by segments of graphene ribbons with different widths forming a graphene quantum dot structure. The systems are described by a…

Mesoscale and Nanoscale Physics · Physics 2011-04-29 Jhon W. Gonzalez , Monica Pacheco , Luis Rosales , Pedro Orellana

The negative Poisson`s ratio (NPR) is a novel property of materials, which enhances the mechanical feature and creates a wide range of application prospects in lots of fields, such as aerospace, electronics, medicine, etc. Fundamental…

Computational Physics · Physics 2022-05-04 Jing Wu , E Zhou , Zhenzhen Qin , Xiaoliang Zhang , Guangzhao Qin

We report a first principles investigation of photocurrent generation by graphene PN junctions. The junctions are formed by either chemically doping with nitrogen and boron atoms, or by controlling gate voltages. Non-equilibrium Green's…

Computational Physics · Physics 2015-06-04 Jingzhe Chen , Yibin Hu , Hong Guo