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The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different…

介观与纳米尺度物理 · 物理学 2010-05-04 Zuanyi Li , Haiyun Qian , Jian Wu , Bing-Lin Gu , Wenhui Duan

We theoretically investigate the spin-charge transport in two-terminal device of graphene nanoribbons in the presence of an uniform uniaxial strain, spin-orbit coupling, exchange field and smooth staggered potential. We show that the…

介观与纳米尺度物理 · 物理学 2014-09-25 Ginetom S. Diniz , Marcos R. Guassi , Fanyao Qu

First principles density-functional theory calculations were performed to investigate quantum confinement and edge effects on the electronic properties of zigzag green phosphorene nanoribbons (ZGPNRs) with edge chemical species including H,…

强关联电子 · 物理学 2020-04-01 Chi Ma , Tianxing Ma , Xihong Peng

Graphene-based nanostructures exhibit a vast range of exciting electronic properties that are absent in extended graphene. For example, quantum confinement in carbon nanotubes and armchair graphene nanoribbons (AGNRs) leads to the opening…

Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge…

计算物理 · 物理学 2015-09-15 Shen-Lin Chang , Bi-Ru Wu , Po-Hua Yang , Ming-Fa Lin

At B3LYP level of theory, we predict that the half-metallicity in zigzag edge graphene nanoribbon (ZGNR) can be realized when an external electric field is applied across the ribbon. The critical electric field to induce the…

材料科学 · 物理学 2009-11-13 Er-Jun Kan , Zhenyu Li , Jinlong Yang , J. G. Hou

We study theoretically electron interference in a Mach--Zehnder-like geometry formed by four zigzag graphene nanoribbons (ZGNRs) arranged in parallel pairs, one on top of the other, such that they form intersection angles of 60$^\circ$.…

介观与纳米尺度物理 · 物理学 2023-07-04 Sofia Sanz , Nick Papior , Géza Giedke , Daniel Sánchez-Portal , Mads Brandbyge , Thomas Frederiksen

Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag graphene nanoribbons with highly tunable spin-dependent…

介观与纳米尺度物理 · 物理学 2013-06-17 Yuehua Xu , Bao-Ji Wang , San-Huang Ke

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…

介观与纳米尺度物理 · 物理学 2013-09-13 Yao-Jun Dong , Xue-Feng Wang , Ming-Xing Zhai , Jian-Chun Wu , Liping Zhou , Qin Han , Xue-Mei Wu

In this comprehensive study, we undertake a thorough theoretical examination of the electronic subband structures within cove-edged zigzag graphene nanoribbons (CZGNRs) using the tight-binding model. These unique nanostructures arise from…

介观与纳米尺度物理 · 物理学 2023-10-26 David M T Kuo

We perform density functional calculations on one-dimensional zigzag edge graphene nano-ribbons (ZGNRs) of different widths, with and without edge doping including semi-local exchange-correlations. Our study reveals that, although the…

材料科学 · 物理学 2008-06-13 Sudipta Dutta , Swapan K. Pati

Realizing magnetism in graphene/carbon nanostructures is a decade-long challenge. The magnetic edge state and half metallicity in zigzag graphene nanoribbons are particularly promising [Y.-W. Son, et al., Nature 444, 347 (2006)]. However,…

介观与纳米尺度物理 · 物理学 2018-12-05 Shiyuan Gao , Li Yang

Based on first-principles density-functional theory calculations, we present a comparative study of the elec- tronic structures of ultranarrow zigzag graphene nanoribbons (ZGNRs) embedded in hexagonal boron nitride (BN) sheet and fully…

介观与纳米尺度物理 · 物理学 2015-08-05 Sun-Woo Kim , Hyun-Jung Kim , Jin-Ho Choi , Ralph H. Scheicher , Jun-Hyung Cho

Electronic structures of the zigzag bilayer graphite nanoribbons(Z-BGNR) with various ribbon width $N$ are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude $\gamma_4$, which is an order of…

介观与纳米尺度物理 · 物理学 2009-11-13 Jun-Won Rhim , Kyungsun Moon

We study the effects of uniaxial strains on the transport properties of the graphene nanoribbons(GNRs) connected with two metallic leads in heterojunctions, using the transfer matrix method. Two typical GNRs with zigzag and armchair…

介观与纳米尺度物理 · 物理学 2015-05-27 Jing Wang , Guiping Zhang , Fei Ye , Xiaoqun Wang

A theoretical study of the transport properties of zigzag and armchair graphene nanoribbons with a magnetic barrier on top is presented. The magnetic barrier modifies the energy spectrum of the nanoribbons locally, which results in an…

介观与纳米尺度物理 · 物理学 2008-09-19 Hengyi Xu , T. Heinzel , M. Evaldsson , I. V. Zozoulenko

Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…

介观与纳米尺度物理 · 物理学 2019-07-26 E. Louis , E. San-Fabian , G. Chiappe , J. A. Verges

Electronic transport in a graphene-based ferromagnetic/normal/ferromagnetic junction is investigated by means of Landauer-B\"{u}ttiker formulism and the nonequilibrium Green's function technique. For the zigzag edge case, the results show…

介观与纳米尺度物理 · 物理学 2015-05-18 Jiang-chai Chen , Shu-guang Cheng , Shun-Qing Shen , Qing-feng Sun

A major challenge of spintronics is in generating, controlling and detecting spin-polarized current. Manipulation of spin-polarized current, in particular, is difficult. We demonstrate here, based on calculated transport properties of…

材料科学 · 物理学 2015-03-17 Minggang Zeng , Lei Shen , Haibin Su , Miao Zhou , Chun Zhang , Yuanping Feng

The significant electron-electron interactions that characterize the {\pi}-electrons of graphene nanoribbons (GNRs) necessitate going beyond one-electron tight-binding description. Existing theories of electron-electron interactions in GNRs…

强关联电子 · 物理学 2016-07-27 V. M. L. Durga Prasad Goli , Suryoday Prodhan , Sumit Mazumdar , S. Ramasesha