Ab initio modeling of quantum transport properties of molecular electronic devices

Keywords

Conductance, Ab initio, Physics, Ballistic conduction, Quantum

References

• Electronic transport in mesoscopic systemsSupriyo Datta — 1995
• NanotubesJ. Bernholc, Christopher Roland, Boris I. Yakobson — 1997
• Conductance of a Molecular JunctionMark A. Reed, Chongwu Zhou, C. J. Muller — 1997
• Density-functional theory of atoms and moleculesR. Parr — 1989

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• Bipolar magnetic semiconductors: a new class of spintronics materials.Malin Bandh, Lina Bäcke — 2012
• The transport properties and new device design: the case of 6,6,12-graphyne nanoribbons.Xavier Besalú — 2013
• Giant magnetoresistance in zigzag MoS2 nanoribbons.正永 山脇 — 2015
• First-principles study of the electronic transport properties of a C131 -based molecular junctionPeng Zhao, Desheng Liu — 2011
• Variable electronic properties of lateral phosphorene-graphene heterostructures.季次 無江, 忠男 伊勢, 俊介 鈴木 — 2015
• The electronic transport properties of zigzag silicene nanoribbon slices with edge hydrogenation and oxidation.Joel Darmstadter — 2016
• Edge-defect induced spin-dependent Seebeck effect and spin figure of merit in graphene nanoribbons.Fenda Puspita Anggraini, Sumi ati — 2017
• First principles study of electronic transport properties in novel FeB2 flake-based nanodevices.R. Mattingly — 2018
• Bandgap scaling and negative differential resistance behavior of zigzag phosphorene antidot nanoribbons (ZPANRs).María Lourdes García Peramato — 2018
• Inorganic photovoltaic cells based on BiFeO3: spontaneous polarization, lattice matching, light polarization and their relationship with photovoltaic performance.Diane Godin — 2019
• CrO2-based heterostructure and magnetic tunnel junction: perfect spin filtering effect, spin diode effect and high tunnel magnetoresistanceFernando Jesús Lara de Vicente, Tomás López‐Guzmán — 2019
• Spin-dependent transport of interacting electrons in mesoscopic systemsAndreas Laßl — 2007
• Optical response of extended systems using time-dependent density functional theory.S. Sharma, J. K. Dewhurst, E. K. U. Gross — 2014
• Coherent and Dissipative Transport in Metallic Atomic-Size ContactsZhenting Dai — 2006
• Tunable half-metallic properties and spin Seebeck effects in zigzag-edged graphene nanoribbons adsorbed with V atom or V-benzene compoundXifeng Yang, H.L. Wang, Xuekun Hong — 2015
• Optical and Transport Properties of Organic Molecules: Methods and ApplicationsDavid A. Strubbe — 2012

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