位置：成果数据库 > 期刊 > 期刊详情页
直线硅原子链电子输运特性的计算
  • ISSN号：0455-2059
  • 期刊名称：《兰州大学学报：自然科学版》
  • 时间：0
  • 分类：O562[理学—原子与分子物理;理学—物理]
  • 作者机构：宜宾学院物理与电子工程学院, 四川大学物理科学与技术学院
  • 相关基金：国家自然科学基金项目(11174214,11204192);四川省教育厅科研基金项目(13ZB0207);地方高校国家级大学生创新训练项目(201210641105)
作者： 柳福提, 程艳, 陈向荣, 程晓洪, 周亚鑫
关键词： 密度泛函理论, 非平衡格林函数, 电子输运, 硅原子链
中文摘要：

运用密度泛函理论结合非平衡格林函数对6个Si原子构成的直线链两侧以对顶位、对空位分别与理想Au(100)3×3半无限电极耦合的纳米结点结构的电子输运特性进行了第一性原理计算.计算结果得到对空位结构比对顶位结构更稳定,电导性也更好,电导随着正负电压的增大而略有减小,且呈现出对称性变化,其电流电压曲线表现出线性特征.

同期刊论文项目
金属电极-团簇-金属电极纳米体系电子输运的理论研究
期刊论文 36
硫团簇,硅团簇和砷化镓团簇电子输运机理的理论研究
期刊论文 78
同项目期刊论文
Bias-dependent oscillatory electron transport of monatomic sulfur chains
Ab initio calculation of lattice dynamics and thermodynamic properties of beryllium
Quantum transport of Au-S-S-Au nanoscale junctions
Structural and thermodynamic properties of WB at high pressure and high temperature
First-principles investigations on elastic, phonon and thermodynamic properties of SrB6 under pressu
Elastic and electronic properties of YNi2B2C under pressure from first principles
Initial Decomposition of the Condensed-Phase beta-HMX under Shock Waves: Molecular Dynamics Simulati
Pressure effect of structural and vibrational properties of solid pentaerythritol by molecular dynam
First principles investigations on elastic and electronic properties of BaHfN2 under pressure
From first principles: Phase transition mechanisms of hexagonal Sc and Y under pressure
Structural, electronic, and elastic properties of CuFeS2: first-principles study
First-principles study of the phonon vibrational spectra and thermal properties of hexagonal MoS2
Ab initio calculations of quantum transport of Au-GaN-Au nanoscale junctions
Phase transitionandthermodynamicpropertiesofCaF2 via first principles
Elastic, superconducting, and thermodynamic properties of the cubic metallic phase of AlH3 via first
Interaction of Graphene-on-Al(111) Composite with D-Glucopyranose and Its Application in Biodetectio
Pressure induced metallization of SiH4(H-2)(2) via first-principles calculations
Elastic, thermodynamic and electronic properties of LaF3 under pressure from first principles
Cation circle times 3 pi: Cooperative Interaction of a Cation and Three Benzenes with an Anomalous O
Elastic properties and phonon dispersions of rhenium in hexagonal-close-packed structure under press
Pressure-induced metallization of condensed phase beta-HMX under shock loadings via molecular dynami
Theoretical calculation of electron transport properties of the Au-Si-60-Au molecular junctions
Structural, electronic and elastic properties of AlFe2B2: First-principles study
Anisotropic Responses and Initial Decomposition of Condensed-Phase beta-HMX under Shock Loadings via
Calculation of electron transport in GaAs nanoscale junctions using first-principles
Quantum transport through Ga2As2 cluster
First principles calculation on quantum transport of Au-Si-3-Au nanoscale junction
Quantum conductance oscillation in linear monatomic silicon chains
A possible superhard orthorhombic carbon
Structures and Absorption Optical Spectra of Silicon Cluster Si-9 via First-Principles Calculations
Elastic and thermodynamic properties of CaB6 under pressure from first principles
Structural relative stabilities and pressure-induced phase transitions for lanthanide trihydrides RE
Stacked bilayer phosphorene: strain-induced quantum spin Hall state and optical measurement
Structural exploration and properties of (H2O)(4)(+) cluster via ab initio in combination with parti
Pressure effects on structural, elastic and electronic properties of BaZnO2: first-principles study
Spin-Filtering Transport in Double Parallel Quantum Wires on a Graphene Sheet
Orientation-dependent responses of tungsten single crystal under shock compression via molecular dyn
Study of the thermodynamic stability of iron at inner core from first-principles theory combined wit
Room-temperature resonant quantum tunneling transport of macroscopic systems
Thermal decomposition of solid phase nitromethane under various heating rates and target temperature
Ab initio studies on phase transition, thermoelastic, superconducting and thermodynamic properties o
First-principles calculations of the electronic transport in Au-Si-Au junctions
Electron Transport through a Silicon Atomic Chain
Bias-dependent conductance of Si2 cluster
Structural and elastic properties of orthorhombic CaGeO3 under pressure from first principles
First principles study of electronic, bonding, elastic properties and intrinsic hardness of CdSiP2
Electronic, elastic and thermal properties of SrCu2As2 via first principles calculation
First-principles calculations of the electron transport through Si-4 cluster
Size-dependent melting and coalescence of tungsten nanoclusters via molecular dynamics simulation
Spin-dependent Fano resonance in an impurity-doped graphene coupled to ferromagnetic leads
Study of the thermodynamic properties of CeO2 from ab initio calculations: The effect of phonon-phon
Melting curves and entropy of fusion of body-centered cubic tungsten under pressure
（GaAs）n（n=1—4）原子链电子输运性质的理论计算
Au—Si60-Au分子结电子输运性质的理论计算
Au-Si-Au结点电子输运性质的第一性原理计算
Si4团簇电子输运性质的第一性原理计算
GaAs纳米结点电子输运性质的第一性原理计算
高压下BeSe相变和热力学性质第一性原理研究
硅纳米结点电子输运性质的计算
Au-MgB2-Au纳米结点的负微分电阻效应
Spin-dependent transport through a quantum wire on a graphene surface
Elastic and electronic properties of Ce2O3 from first principles
Structural, elastic and electronic properties of CeVO4 via first-principles calculations
A new global search for the ground state structure of small cluster: application to S6
Effects of contact geometry on the transport properties of a silicon atom
Elastic properties of monoclinic at finite temperatures via first principles
Elastic and electronic properties of MnTi2O4 under pressure: A first-principle study
Ab initio calculations of quantum transport of Au–GaN–Au nanoscale junctions
First-principles quantum transport in S3 clusters
Effect of spin-flip scattering on the electron transport through double quantum dots
Spin-Filtering Transport in Double Parallel Quantum Wires on a Graphene Sheet
Structure and thermodynamic properties of BeO: empirical corrections in the quasiharmonic approximat
Phase transition and thermodynamic properties of magnesium fluoride by first principles
Structural, elastic and electronic properties of CuYO2 from first-principles study
Ab initio investigation of the lower energy candidate structures for (H2O)(5)+ water cluster
Negative Differential Resistance of Au-MgB2-Au Nanoscale Junctions
（GaAs）n（n=1—4）原子链电子输运性质的理论计算
Au—Si60-Au分子结电子输运性质的理论计算
Au-Si-Au结点电子输运性质的第一性原理计算
Si4团簇电子输运性质的第一性原理计算
GaAs纳米结点电子输运性质的第一性原理计算
高压下BeSe相变和热力学性质第一性原理研究
硅纳米结点电子输运性质的计算
Au-MgB2-Au纳米结点的负微分电阻效应
LDA＋U calculation of structural and thermodynamic properties of Ce2O3
期刊信息
  • 《兰州大学学报：自然科学版》
  • 中国科技核心期刊
  • 主管单位:教育部
  • 主办单位:兰州大学
  • 主编：涂永强
  • 地址：兰州市天水南路222号
  • 邮编：730000
  • 邮箱：jns@lzu.edu.cn
  • 电话：0931-8912707
  • 国际标准刊号：ISSN：0455-2059
  • 国内统一刊号：ISSN：62-1075/N
  • 邮发代号:54-3
  • 获奖情况:
  • 全国自然科学类核心期刊,甘肃省优秀科技期刊
  • 国内外数据库收录:
  • 美国化学文摘（网络版）,美国数学评论（网络版）,德国数学文摘,荷兰文摘与引文数据库,英国动物学记录,中国中国科技核心期刊,中国北大核心期刊（2004版）,中国北大核心期刊（2008版）,中国北大核心期刊（2011版）,中国北大核心期刊（2014版）,英国英国皇家化学学会文摘,中国北大核心期刊（2000版）
  • 被引量:12892