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We investigated the electronic and optical properties of bilayer AB stacked Boron and Nitrogen vacancies in hexagonal Boron Nitride (h-BN) using density functional theory (DFT). The density of states (DOS) and electronic band structure…

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

We report electronic structure and electric field modulation calculations in the width direction for armchair graphene nanoribbons (acGNRs) using a semi-empirical extended Huckel theory. Important band structure parameters are computed,…

Mesoscale and Nanoscale Physics · Physics 2008-06-25 Hassan Raza , Edwin C. Kan

We perform ab initio calculations that indicate that the relative stability of antiphase boundaries (APB) with armchair and zigzag chiralities in monolayer boron nitride (BN) is determined by the chemical potentials of the boron and…

Mesoscale and Nanoscale Physics · Physics 2012-12-24 L. C. Gomes , S. S. Alexandre , H. Chacham , R. W. Nunes

We study the performance of a hybrid Graphene-Boron Nitride {GNR-BN} armchair nanoribbon {a-GNR-BN} MOSFET at its ballistic transport limit. We consider three geometric configurations 3p, 3p+1 and 3p+2 of a-GNR-BN with BN atoms embedded on…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Anuja Chanana , Amretashis Sengupta , Santanu Mahapatra

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

Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (C$_3$N) and boron-carbide (BC$_3$) exhibit exceptional physical properties. On this basis, we propose two novel graphene-like…

We report on the fabrication and electrical characterization of both single layer graphene micron-sized devices and nanoribbons on a hexagonal boron nitride substrate. We show that the micron-sized devices have significantly higher mobility…

Mesoscale and Nanoscale Physics · Physics 2013-02-06 Dominik Bischoff , Tobias Krähenmann , Susanne Dröscher , Michelle A. Gruner , Clément Barraud , Thomas Ihn , Klaus Ensslin

Engineering atomic-scale structures allows great manipulation of physical properties and chemical processes for advanced technology. We show that the B atoms deployed at the centers of honeycombs in boron sheets, borophene, behave as nearly…

Nanometer-scale graphene objects are attracting much research interest because of newly emerging properties originating from quantum confinement effects. We present Raman spectroscopy studies of graphene nanoribbons (GNRs) which are known…

Materials Science · Physics 2012-01-23 Sunmin Ryu , Janina Maultzsch , Melinda Y. Han , Philip Kim , Louis E. Brus

Topological insulators hold great potential for efficient information processing and storage. Using density functional theory calculations, we predict that a honeycomb lead monolayer can be stabilized on the Al2O3 (0001) substrate and…

Materials Science · Physics 2018-10-12 Hui Wang , D. Lu , J. Kim , Z. Wang , S. T. Pi , R. Q. Wu

Electron transport in small graphene nanoribbons is studied by microwave emulation experiments and tight-binding calculations. In particular, it is investigated under which conditions a transport gap can be observed. Our experiments provide…

Mesoscale and Nanoscale Physics · Physics 2017-01-18 Thomas Stegmann , John A. Franco-Villafañe , Ulrich Kuhl , Fabrice Mortessagne , Thomas H. Seligman

Graphene nanoribbons (GNR) in mutually perpendicular electric and magnetic fields are shown to exhibit dramatic changes in their band structure and electron transport properties. A strong electric field across the ribbon induces multiple…

Materials Science · Physics 2015-05-18 Oleksiy Roslyak , Godfrey Gumbs , Danhong Huang

In a very recent accomplishment, the two-dimensional form of Biphenylene network (BPN) has been successfully fabricated [Fan et al., Science, 372, 852-856 (2021)]. Motivated by this exciting experimental result on 2D layered BPN structure,…

Materials Science · Physics 2021-11-04 A. Bafekry , M. Faraji , M. M. Fadlallah , H. R. Jappor , S. Karbasizadeh , M. Ghergherehchi , D. Gogova

Spontaneous orbital magnetism observed in twisted bilayer graphene (tBG) on nearly aligned hexagonal boron nitride (BN) substrate builds on top of the electronic structure resulting from combined G/G and G/BN double moire interfaces. Here…

Mesoscale and Nanoscale Physics · Physics 2021-02-24 Jiseon Shin , Youngju Park , Bheema Lingam Chittari , Jeil Jung

Dependency of energy bandgap (Eg) of bilayer armchair graphene nanoribbons (AGNRB) on their widths, interlayer distance (D) and edge doping concentration of boron/nitrogen is investigated using local density approximation and compare to the…

Materials Science · Physics 2008-06-20 Kai-Tak Lam , Gengchiau Liang

Bandgap engineering by substituting C with B and N atoms in graphene has been shown to be a promising way to improve semiconducting properties of graphene. Such hybridized monolayers consisting of hexagonal BN phases in graphene (h-BNC)…

Materials Science · Physics 2015-05-28 Qing Peng , Amir Zamiri , Suvranu De

We study analytically, based on the tight-binding model, the electronic band structure of armchair AA-stacked bilayer graphene nanoribbons (BLGNRs) in several regimes. We apply hard-wall boundary conditions to determine the discretion…

Mesoscale and Nanoscale Physics · Physics 2015-02-10 Yawar Mohammadi , Borhan Arghavani Nia

Two-dimensional boron (borophene) is featured by its structural polymorphs and distinct in-plane anisotropy, opening opportunities to achieve tailored electronic properties by intermixing different phases. Here, using scanning tunneling…

Materials Science · Physics 2019-04-23 Longjuan Kong , Liren Liu , Lan Chen , Qing Zhong , Peng Cheng , Hui Li , Zhuhua Zhang , Kehui Wu

Experimentally observation of borophene nanoribbons (BNRs) motivated us to carry out a comprehensive investigation on BNRs, decomposed from {\chi}_3 sheet, using density functional theory. Our results show that the stability and also the…

Materials Science · Physics 2018-04-12 S. I. Vishkayi , M. B. Tagani