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We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations…

Materials Science · Physics 2015-05-13 Veronica Barone , Juan E. Peralta

Two-dimensional (2D) bilayers, twisted to particular angles to display electronic flat bands, are being extensively explored for physics of strongly correlated 2D systems. However, the similar rich physics of one-dimensional (1D) strongly…

Materials Science · Physics 2022-06-06 Sunny Gupta , Henry Yu , Boris I. Yakobson

We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…

Mesoscale and Nanoscale Physics · Physics 2017-02-02 Emilia Ridolfi , Leandro R. F. Lima , Eduardo R. Mucciolo , Caio H. Lewenkopf

In contrast to the well recognized transverse-electric-field-induced half-metallicity in zigzag graphene nanoribbons, here we demonstrate by first-principles calculations that zigzag graphene nanoribbons sandwiched between hexagonal boron…

Mesoscale and Nanoscale Physics · Physics 2013-04-15 Jin Yu , Wanlin Guo

We investigate the edge-state magnetism of graphene nanoribbons using projective quantum Monte Carlo simulations and a self-consistent mean-field approximation of the Hubbard model. The static magnetic correlations are found to be short…

Mesoscale and Nanoscale Physics · Physics 2011-06-13 Hélène Feldner , Zi Yang Meng , Thomas C. Lang , Fakher F. Assaad , Stefan Wessel , Andreas Honecker

Rhombohedral graphene (rG) aligned with hexagonal boron nitride (hBN) has been shown to host flat bands that stabilize various strongly correlated quantum phases, including Mott insulators, integer, and fractional quantum anomalous Hall…

The electronic properties of two-dimensional materials and their heterostructures can be dramatically altered by varying the relative angle between the layers. This makes it theoretically possible to realize a new class of twistable…

Mesoscale and Nanoscale Physics · Physics 2018-09-03 Rebeca Ribeiro-Palau , Changjian Zhang , Kenji Watanabe , Takashi Taniguchi , James Hone , Cory R. Dean

In graphene nanoribbons (GNRs), the lateral confinement of charge carriers opens a band gap, the key feature to enable novel graphene-based electronics. Successful synthesis of GNRs has triggered efforts to realize field-effect transistors…

Mesoscale and Nanoscale Physics · Physics 2018-06-05 Nils Richter , Zongping Chen , Alexander Tries , Thorsten Prechtl , Akimitsu Narita , Klaus Müllen , Kamal Asadi , Mischa Bonn , Mathias Kläui

The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…

Mesoscale and Nanoscale Physics · Physics 2015-08-19 Van-Truong Tran , Jérôme Saint Martin , Philippe Dollfus

Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…

Materials Science · Physics 2015-05-19 Bhagawan Sahu , Hongki Min , Sanjay K. Banerjee

Recently hybridized monolayers consisting of hexagonal boron nitride (h-BN) phases inside graphene layer have been synthesized and shown to be an effective way of opening band gap in graphene monolayers [1]. In this letter, we report an ab…

Materials Science · Physics 2012-04-27 Qing Peng , Amir R. Zamiri , Wei Ji , Suvranu De

Magnetic graphene nanoribbons (GNRs) have become promising candidates for future applications, including quantum technologies. Here, we characterize magnetic states hosted by chiral graphene nanoribbons (chGNRs). The substitution of a…

One-dimensional (1D) moir\'e superlattices provide a new route to engineering reduced-dimensional electronic states in van der Waals materials, yet their electronic structure and microscopic origin remain largely unexplored. Here, we…

The specific rotational alignment of two-dimensional lattices results in a moir\'e superlattice with a larger period than the original lattices and allows one to engineer the electronic band structure of such materials. So far, transport…

A systematic study of the electronic properties of single layer Sb (antimonene) nanoribbons is presented. By using a 6-orbital tight-binding Hamiltonian, we study the electronic band structure of finite ribbons with zigzag or armchair…

Mesoscale and Nanoscale Physics · Physics 2018-12-05 Edo van Veen , Jin Yu , Mikhail I. Katsnelson , Rafael Roldan , Shengjun Yuan

We report on quantum transport measurements on etched graphene nanoribbons encapsulated in hexagonal boron nitride (hBN). At zero magnetic field our devices behave qualitatively very similar to what has been reported for graphene…

Mesoscale and Nanoscale Physics · Physics 2020-01-08 A. Epping , C. Volk , F. Buckstegge , K. Watanabe , T. Taniguchi , C. Stampfer

Exercising direct control over the unusual electronic structures arising from quantum confinement effects in graphene nanoribbons (GNRs) - atomically defined quasi one-dimensional (1D) strips of graphene - is intimately linked to geometric…

Mesoscale and Nanoscale Physics · Physics 2023-04-18 Sai Ho Pun , Aidan Delgado , Christina Dadich , Adam Cronin , Felix R. Fischer

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…

Mesoscale and Nanoscale Physics · Physics 2019-07-26 E. Louis , E. San-Fabian , G. Chiappe , J. A. Verges

We report electrical transport measurements on a suspended ultra-low-disorder graphene nanoribbon(GNR) with nearly atomically smooth edges that reveal a high mobility exceeding 3000 cm2 V-1 s-1 and an intrinsic band gap. The experimentally…

Topological design of pi-electrons in zigzag-edged graphene nanoribbons (ZGNRs) leads to a wealth of magnetic quantum phenomena and exotic quantum phases. Symmetric ZGNRs typically exhibit antiferromagnetically coupled spin-ordered edge…

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