石墨烯纳米器件的量子输运研究
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摘要
自从2004年Novoselov等人成功制备单层石墨(石墨烯,Graphene)以来,石墨烯以其独特的电学性质,如Klein隧穿,狄拉克颤动,半整数霍尔效应等引起了科学家们的广泛关注.在科技迅猛发展的今天,石墨烯已经成为一种新型的碳纳米材料,并且由其制备出了许多纳米尺寸的石墨器件,如量子结,双层石墨结构,石墨烯纳米带(graphene nanoribbons, GNRs)等,它们具有巨大的应用前景.石墨烯纳米带作为一种准一维碳纳米材料,几何结构是决定电子结构的主要因素,在实际应用中具有强烈的边界效应和复杂的电学性质,因此对基于石墨烯纳米带的器件研究具有重要的意义。
通过引入各种无序(包含缺陷和掺杂以及其他手段)来研究石墨烯纳米带的电子以及输运性质,成为了当前研究的热点话题。本文主要利用基于非平衡格林函数与密度泛函理论相结合的材料模拟软件ATK,研究了氮/硼掺杂的异质结的奇异的电荷输运性质,结合自旋密度泛函理论研究了全碳基的隧穿磁阻装置,并研究了一种新型的电压控制的无自旋轨道耦合的双向纯自旋流开关。
对氮/硼掺杂的异质结的电荷输运性质的研究表明,两种直接连接或者有隔离区域的掺杂的扶手椅型异质结不仅在正负偏压下都具有较大峰谷比的负微分电阻现象,而且这种两种异质结也都出现了比较大整流系数的类二极管行为。我们的分析表明共振峰随着外加偏压的变化有很大变化,而这对异质结A和B的非线性行为有很重要的影响,同时我们也看到MPSH能隙在系统A的奇异输运性质中也扮演了很重要的角色。
对于由部分打开的碳纳米管(石墨烯)和金属碳纳米管组成的全碳基的隧穿磁阻装置,我们研究了其巨磁阻效应。在这种部分打开碳纳米管边界碳原子为非对称饱和的结构中,其隧穿磁阻(TMR)随着外加偏压的变化呈现出不规则的振荡并逐渐衰减至0,同时在振荡过程中我们发现了正负TMR甚至出现了TMR反转现象。我们的分析表明这种奇异的隧穿磁阻现象与部分打开碳纳米管边界碳原子的非对称饱和结构有很大关系。同时我们发现这种装置的电子态受外加电压的影响很大。
最后我们基于一种新型的掺杂的锯齿型自旋无能隙石墨烯纳米带构造了一种电压可以控制的不包含自旋轨道耦合的纯自旋流双向开关——通过改变电压的方向,我们可以得到100%自旋极化的方向相反的纯自旋流。我们从能带和投影自洽哈密顿本征值(MPSH)分析了出现这种现象的机制。由于无能隙自旋半导体在费米面附近的电子激发是100%自旋极化,并且不需要激发能,而且这种无能隙自旋半导体的载流子的移动速度很快,所以这种纯自旋流开关在自旋电子学、量子信息存储、量子计算等方面有很重要的应用。
Since Novoselov et al. successfully prepared the single-layer graphite(Graphene) in 2004. Graphene has arosed scientists'wide attention due to the unique electrical properties, such as Klein tunneling, Zitterbewegung and half an integer hall effect. In the rapid development of technology today, graphene become a new kind of carbon nano materials, and make out many nanometer sized graphene devices by it, such as quantum junction, double layer graphene structure, graphene nanoribbons(GNRs) etc, which has great application prospect. Graphene as a kind of quasi-one-dimensional nanomaterials, geometric structure is the main factors to determine its electronic structure, and it has strong boundary effect and complex electrical properties in practical application,therfore, the research on the device based on graphene has the vital significance.
Through the introduction of various disorder (including defect and doping and other ways) to study the electronics and transport properties of graphene nanoribbons become the hot topic in the current research. This paper mainly ues material simulation software ATK which based on the non-balance green function combined with density functional theory to study the singular charge transport properties of nitrogen/boron doped heterojunction, and combined with spin density functional theory to study full carbon's tunneling of magnetic resistance device, and to study on a new type of no spin-orbital coupling two-way pure spin flow switch controled by voltage.
The research on the charge transport properties of nitrogen/boron doped heterojunctions show that the doped armchair heterojunctio which connect directly or have the separate region not only in positive and negative bias possess 1 negative differential resistance which have larger peak to valley value, and the two heterojunction also appeared diode-like phenomenon that rectifier coefficient is very large. Our analysis shows that the resonance peak chang a lot with external bias's change, which have very important influence on the nonlinear behavior for heterojunction A and B, and we also see MPSH gap also play a very important role for the singular transport properties of the system of A.
we studied the giant magnetoresistance effect on the all carbon tunneling of magnetic resistance device which composed by partially open carbon nanotubes (graphene) and metal carbon nanotubes. In this partilly open carbon nanotubes structure which edge carbon atoms asymmetric saturated, its tunneling of magnetic resistance (TMR) as presents irregular oscillation with the change of external bias and gradually attenuation to 0,during oscillation process we found positive and negative TMR even appeared TMR reversal phenomenon. Our analysis shows that this bizarre tunneling reluctance phenomenon has the close relations with the asymmetric saturated structure of the partially open carbon nanotubes. And we find that the electronic states of this device are deeply influenced by the external voltage.
Finally we make a pure spin flow two-way switch which have no spin-orbital coupling and controled by voltage based on a new type of doped zigzag spin gapless graphene nanoribbons(GNRs) -- through change voltage direction, we can get 100% spin polarization direction opposite pure spin flow. We analyzes the mechanism of the phenomenon through energy bands, molecular projected self-consistent Hamiltonian (MPSH) eigenvalues. Due 100% spin polarization of the excited electrons near the Feimi level, an don't need the energy of the excite, also the carriers of this spin gapless semiconductor can travel quickly, so this kind of pure spin flow switch have important application in spintronics, quantum information storage, quantum computing.
通过引入各种无序(包含缺陷和掺杂以及其他手段)来研究石墨烯纳米带的电子以及输运性质,成为了当前研究的热点话题。本文主要利用基于非平衡格林函数与密度泛函理论相结合的材料模拟软件ATK,研究了氮/硼掺杂的异质结的奇异的电荷输运性质,结合自旋密度泛函理论研究了全碳基的隧穿磁阻装置,并研究了一种新型的电压控制的无自旋轨道耦合的双向纯自旋流开关。
对氮/硼掺杂的异质结的电荷输运性质的研究表明,两种直接连接或者有隔离区域的掺杂的扶手椅型异质结不仅在正负偏压下都具有较大峰谷比的负微分电阻现象,而且这种两种异质结也都出现了比较大整流系数的类二极管行为。我们的分析表明共振峰随着外加偏压的变化有很大变化,而这对异质结A和B的非线性行为有很重要的影响,同时我们也看到MPSH能隙在系统A的奇异输运性质中也扮演了很重要的角色。
对于由部分打开的碳纳米管(石墨烯)和金属碳纳米管组成的全碳基的隧穿磁阻装置,我们研究了其巨磁阻效应。在这种部分打开碳纳米管边界碳原子为非对称饱和的结构中,其隧穿磁阻(TMR)随着外加偏压的变化呈现出不规则的振荡并逐渐衰减至0,同时在振荡过程中我们发现了正负TMR甚至出现了TMR反转现象。我们的分析表明这种奇异的隧穿磁阻现象与部分打开碳纳米管边界碳原子的非对称饱和结构有很大关系。同时我们发现这种装置的电子态受外加电压的影响很大。
最后我们基于一种新型的掺杂的锯齿型自旋无能隙石墨烯纳米带构造了一种电压可以控制的不包含自旋轨道耦合的纯自旋流双向开关——通过改变电压的方向,我们可以得到100%自旋极化的方向相反的纯自旋流。我们从能带和投影自洽哈密顿本征值(MPSH)分析了出现这种现象的机制。由于无能隙自旋半导体在费米面附近的电子激发是100%自旋极化,并且不需要激发能,而且这种无能隙自旋半导体的载流子的移动速度很快,所以这种纯自旋流开关在自旋电子学、量子信息存储、量子计算等方面有很重要的应用。
Since Novoselov et al. successfully prepared the single-layer graphite(Graphene) in 2004. Graphene has arosed scientists'wide attention due to the unique electrical properties, such as Klein tunneling, Zitterbewegung and half an integer hall effect. In the rapid development of technology today, graphene become a new kind of carbon nano materials, and make out many nanometer sized graphene devices by it, such as quantum junction, double layer graphene structure, graphene nanoribbons(GNRs) etc, which has great application prospect. Graphene as a kind of quasi-one-dimensional nanomaterials, geometric structure is the main factors to determine its electronic structure, and it has strong boundary effect and complex electrical properties in practical application,therfore, the research on the device based on graphene has the vital significance.
Through the introduction of various disorder (including defect and doping and other ways) to study the electronics and transport properties of graphene nanoribbons become the hot topic in the current research. This paper mainly ues material simulation software ATK which based on the non-balance green function combined with density functional theory to study the singular charge transport properties of nitrogen/boron doped heterojunction, and combined with spin density functional theory to study full carbon's tunneling of magnetic resistance device, and to study on a new type of no spin-orbital coupling two-way pure spin flow switch controled by voltage.
The research on the charge transport properties of nitrogen/boron doped heterojunctions show that the doped armchair heterojunctio which connect directly or have the separate region not only in positive and negative bias possess 1 negative differential resistance which have larger peak to valley value, and the two heterojunction also appeared diode-like phenomenon that rectifier coefficient is very large. Our analysis shows that the resonance peak chang a lot with external bias's change, which have very important influence on the nonlinear behavior for heterojunction A and B, and we also see MPSH gap also play a very important role for the singular transport properties of the system of A.
we studied the giant magnetoresistance effect on the all carbon tunneling of magnetic resistance device which composed by partially open carbon nanotubes (graphene) and metal carbon nanotubes. In this partilly open carbon nanotubes structure which edge carbon atoms asymmetric saturated, its tunneling of magnetic resistance (TMR) as presents irregular oscillation with the change of external bias and gradually attenuation to 0,during oscillation process we found positive and negative TMR even appeared TMR reversal phenomenon. Our analysis shows that this bizarre tunneling reluctance phenomenon has the close relations with the asymmetric saturated structure of the partially open carbon nanotubes. And we find that the electronic states of this device are deeply influenced by the external voltage.
Finally we make a pure spin flow two-way switch which have no spin-orbital coupling and controled by voltage based on a new type of doped zigzag spin gapless graphene nanoribbons(GNRs) -- through change voltage direction, we can get 100% spin polarization direction opposite pure spin flow. We analyzes the mechanism of the phenomenon through energy bands, molecular projected self-consistent Hamiltonian (MPSH) eigenvalues. Due 100% spin polarization of the excited electrons near the Feimi level, an don't need the energy of the excite, also the carriers of this spin gapless semiconductor can travel quickly, so this kind of pure spin flow switch have important application in spintronics, quantum information storage, quantum computing.
引文
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