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We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a…

介观与纳米尺度物理 · 物理学 2012-04-19 Branislav K. Nikolic , Kamal K. Saha , Troels Markussen , Kristian S. Thygesen

We employ classical molecular dynamics to study the nonlinear thermal transport in graphene nanoribbons (GNRs). For GNRs under large temperature biases beyond linear response regime, we have observed the onset of negative differential…

介观与纳米尺度物理 · 物理学 2016-11-25 Jiuning Hu , Yan Wang , Ajit Vallabhaneni , Xiulin Ruan , Yong P. Chen

Motivated by recent advances in fabricating graphene nanostructures, we find that an electron can be trapped in Z-shaped graphene nanoconstriction with zigzag edges. The central section of the constriction operates as a single-level quantum…

介观与纳米尺度物理 · 物理学 2010-09-23 Adam Rycerz

This comprehensive study investigates charge transport through the multiple end zigzag edge states of finite-size armchair graphene nanoribbons/boron nitride nanoribbons (n-AGNR/w-BNNR) junctions under a longitudinal electric field, where n…

介观与纳米尺度物理 · 物理学 2024-06-18 David M T Kuo

We study the effect of a structural nanoconstriction on the coherent transport properties of otherwise ideal zig-zag-edged infinitely long graphene ribbons. The electronic structure is calculated with the standard one-orbital tight-binding…

介观与纳米尺度物理 · 物理学 2007-05-23 F. Muñoz-Rojas , D. Jacob , J. Fernández-Rossier , J. J. Palacios

Motivated by the very recent fabrication of sub-10-nm-wide semiconducting graphene nanoribbons [X. Li et al., Science 319, 1229 (2008)], whose band gaps extracted from transport measurements were fitted to density functional theory…

介观与纳米尺度物理 · 物理学 2009-05-28 Denis A. Areshkin , Branislav K. Nikolic

Nano engineered spin degree of freedom in carbon system may offer desired exchange coupling with optimum spin orbit interaction which is essential, to construct solid state qubits, for fault tolerant quantum computation. The purpose of this…

原子与分子团簇 · 物理学 2013-08-27 Ashwini P. Alegaonkar , Arvind Kumar , Satish K. Pardeshi , Prashant S. Alegaonkar

Coherent spin-dependent transport through a junction containing of Normal/Ferromagnetic/Normal bilayer graphene nanoribbon with zigzag edges is investigated by using Landauer formalism. In a more realistic set-up, the exchange field is…

介观与纳米尺度物理 · 物理学 2014-03-05 Vahid Derakhshan , Hosein Cheraghchi

The spin-dependent transport properties of armchair graphene nanoribbons in the presence of extrinsic spin-orbit coupling induced by a random distribution of Nickel adatoms is studied. By combining a recursive Green's function formalism…

介观与纳米尺度物理 · 物理学 2020-01-08 Wudmir Y. Rojas , Cesar E. P. Villegas , Alexandre R. Rocha

From the moment atomic precision control of the growth process of graphene was achieved, more elaborated carbon allotropes were proposed opening new channels for flat optoelectronics at the nanoscale. A special type of this material…

Graphene nanoribbons with armchair edges (AGNRs) have bandgaps that can be flexibly tuned via the ribbon width. A junction made of a narrower AGNR sandwiched between two wider AGNR leads was recently reported to possess two perfect…

介观与纳米尺度物理 · 物理学 2015-06-23 Suchun Li , Chee Kwan Gan , Young-Woo Son , Yuan Ping Feng , Su Ying Quek

Spin-charge states of correlated electrons in a one-dimensional quantum dot attached to interacting leads are studied in the non-linear transport regime. With non-symmetric tunnel barriers, regions of negative differential conductance…

强关联电子 · 物理学 2011-10-10 F. Cavaliere , A. Braggio , J. T. Stockburger , M. Sassetti , B. Kramer

Electron transport and quantum conductance through an armchair graphene and its oxidized graphene- containing form were investigated by the density functional theory (DFT) method and the implementation of the non-equilibrium Green function…

介观与纳米尺度物理 · 物理学 2015-01-29 Badie Ghavami , Alireza Rastkar-Ebrahimzadeh

We calculate the spin-dependent zero-bias conductance $G_{\sigma\sigma'}$ in armchair graphene nanoribbons with hydrogen adsorbates employing a DFT-based ab initio transport formalism including spin-orbit interaction. We find that the…

介观与纳米尺度物理 · 物理学 2015-07-07 Jan Wilhelm , Michael Walz , Ferdinand Evers

We have used molecular dynamics to calculate the thermal conductivity of symmetric and asymmetric graphene nanoribbons (GNRs) of several nanometers in size (up to ~4 nm wide and ~10 nm long). For symmetric nanoribbons, the calculated…

介观与纳米尺度物理 · 物理学 2010-08-10 Jiuning Hu , Xiulin Ruan , Yong P. Chen

We present a theoretical study on the spin-dependent transport through a spin valve consisting of graphene sandwiched between two magnetic leads with an arbitrary orientation of the lead magnetization. No gate voltage is applied. Using…

介观与纳米尺度物理 · 物理学 2009-11-13 Kai-He Ding , Zhen-Gang Zhu , Jamal Berakdar

We provide a systematic quantitative description of spin polarization in armchair and zigzag graphene nanoribbons in a perpendicular magnetic field. We first address spinless electrons within the Hartree approximation studying the evolution…

介观与纳米尺度物理 · 物理学 2015-06-05 S. Ihnatsenka , I. V. Zozoulenko

This work describes topological magnon transport in zigzag CrI$_3$ nanoribbons (ZNR) in presence of edge strain. Exchange coupling terms under strain are obtained from first-principles calculations, and the topological properties are…

介观与纳米尺度物理 · 物理学 2026-04-14 David Sanz Ruiz , David Soriano

Very recently, it was demonstrated explicitly that a zigzag graphene nanoribbon (GNR) exhibits a crossover of conductance from G0 to G0/2 with increasing the length (G0 = 2e2/h is the quantum of conductance) even at room-temperature…

介观与纳米尺度物理 · 物理学 2015-10-22 Zhao-Dong Chu , Lin He

We find clear signatures of spin-dependent negative differential resistance in compound systems comprising a graphene nanoribbon and a set of ferromagnetic insulator strips deposited on top of it. The periodic array of ferromagnetic strips…

介观与纳米尺度物理 · 物理学 2013-10-21 J. Munárriz , C. Gaul , A. V. Malyshev , P. A. Orellana , C. A. Müller , F. Domínguez-Adame