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We theoretically examine the possible spin ordered states in zigzag graphene nanoribbon in a large supercell by the self-consistent mean field method as well as the first principle calculation. In addition to the well-known…

Mesoscale and Nanoscale Physics · Physics 2018-03-09 Hang Xie , Jinhua Gao , Dezhuan Han

The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most…

Materials Science · Physics 2014-01-16 Dana Krepel , Oded Hod

Zigzag phosphorene nanoribbons have quasi-flat band edge modes entirely detached from the bulk states. We analytically study the electronic transport through such edge states in the presence of a localized defect for semi-infinite and…

Disordered Systems and Neural Networks · Physics 2019-03-26 M. Amini , M. Soltani

It is known that there is a wide class of quasi-two-dimensional graphenelike nanomaterials which in many respects can outperform graphene. So, here in addition to graphene, the attention is directed to stanene (buckled honeycomb structure)…

Mesoscale and Nanoscale Physics · Physics 2019-10-02 S. Krompiewski

Spin-hosting graphene nanostructures are promising metal-free systems for elementary quantum spintronic devices. Conventionally, spins are protected from quenching by electronic bandgaps, which also hinder electronic access to their quantum…

By first principle calculations, a dual spin filter effect under finite bias voltages is demonstrated in an antiferromagnetic junction of symmetric zigzag graphene nanoribbon (ZGNR). Unlike conventional spin filter devices using half…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Taisuke Ozaki , Kengo Nishio , Hongming Weng , Hiori Kino

Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…

Mesoscale and Nanoscale Physics · Physics 2025-11-05 Wei-Jian Li , Shi-Chang Xiao , Da-Fei Sun , Chang-De Gong , Shun-Li Yu , Yuan Zhou

The edge reconstruction of zigzag graphene nanoribbons to a stable line of alternatively fused seven and five membered rings with hydrogen passivation has been studied within density functional theory with both localized and extended basis…

Materials Science · Physics 2009-11-17 Sudipta Dutta , Swapan K. Pati

A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized…

Materials Science · Physics 2008-11-29 Oded Hod , Gustavo E. Scuseria

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…

Materials Science · Physics 2008-06-13 Sudipta Dutta , Swapan K. Pati

Here we analyze the electron transport properties of a device formed of two crossed graphene nanoribbons with zigzag edges (ZGNRs) in a spin state with total magnetization different from zero. While the ground state of ZGNRs has been shown…

Mesoscale and Nanoscale Physics · Physics 2025-01-15 Sofia Sanz , Géza Giedke , Daniel Sánchez-Portal , Thomas Frederiksen

Phosphorene, a honeycomb structure of black phosphorus, was isolated recently. We investigate electric properties of phosphorene nanoribbons based on the tight-binding model. A prominent feature is the presence of quasi-flat edge bands…

Mesoscale and Nanoscale Physics · Physics 2014-11-10 Motohiko Ezawa

Using a multi-orbital tight-binding model, we have studied the edge states of zigzag silicene, germanene, and stanene nanoribbons (ZSiNRs, ZGeNRs and ZSnNRs, respectively) in the presence of the Coulomb interaction and a vertical electric…

Mesoscale and Nanoscale Physics · Physics 2019-02-20 Ayami Hattori , Keiji Yada , Masaaki Araidai , Masatoshi Sato , Kenji Shiraishi , Yukio Tanaka

We investigated the reduction of the spin stiffness and the appearance of the spiral spin density waves when the electric field is applied on the zigzag graphene nanoribbons for the ferromagnetic and antiferromagnetic edge states. For that…

Mesoscale and Nanoscale Physics · Physics 2019-12-24 Teguh Budi Prayitno , Esmar Budi

The graphene and phosphorene nanostructures have a big potential application in a large area of actuals research in physics. However, their methods of synthesis still do not allow the production of perfect materials with an intact molecular…

Mesoscale and Nanoscale Physics · Physics 2018-02-23 Jan Smotlacha , Richard Pincak

A graphene sheet gated with a ridged ground plane, creating a soft-boundary (SB) graphene nanoribbon, is considered. By adjusting the ridge parameters and bias voltage a channel can be created on the graphene which can guide TM surface…

Optics · Physics 2013-09-25 Ebrahim Forati , George W. Hanson

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,…

Strongly Correlated Electrons · Physics 2020-04-01 Chi Ma , Tianxing Ma , Xihong Peng

The photon spin is an important resource for quantum information processing as is the electron spin in spintronics. However, for subwavelength confined optical excitations, polarization as a global property of a mode cannot be defined.…

Optics · Physics 2018-12-11 Enno Krauss , Gary Razinskas , Dominik Köck , Swen Grossmann , Bert Hecht

We present a novel comprehensive first-principles theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene nanoribbons. The oxidation schemes considered include hydroxyl, carboxyl, ether, and…

Materials Science · Physics 2015-05-13 Oded Hod , Veronica Barone , Juan E. Peralta , Gustavo E. Scuseria

In this study, we analyze the band structure, the state characterization, and electronic transport of monolayer black phosphorus (phosphorene) zigzag nanoribbons (zPNRs) and armchair nanoribbons (aPNRs), using five-parameter tight-binding…

Mesoscale and Nanoscale Physics · Physics 2015-08-17 Esmaeil Taghizadeh Sisakht , Mohammad H. Zare , Farhad Fazileh