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This paper presents a systematic study of two and one dimensional honeycomb structure of boron nitride (BN) using first-principles plane wave method. Two-dimensional (2D) graphene like BN is a wide band gap semiconductor with ionic bonding.…

介观与纳米尺度物理 · 物理学 2015-05-13 M. Topsakal , E. Akturk , S. Ciraci

Hydrogenated nanographite can display spontaneous magnetism. Recently we proposed that hydrogenation of nanographite is able to induce finite magnetization. We have performed theoretical investigation of a graphene ribbon in which each…

材料科学 · 物理学 2009-11-07 Koichi Kusakabe , Masanori Maruyama

A so-called artificial graphene is an artificial material whose low-energy carriers are described by the massless Dirac equation. Applying a periodic potential with triangular symmetry to a two-dimensional electron gas is one way to make…

介观与纳米尺度物理 · 物理学 2016-02-18 Pilkwang Kim , Cheol-Hwan Park

We report the electronic properties of two-dimensional systems made of graphene nanoribbons which are patterned with ad-atoms in two separated regions. Due to the extra electronic confinement induced by the presence of the impurities, we…

介观与纳米尺度物理 · 物理学 2015-09-25 J. W. González , L. Rosales , M. Pacheco , A. Ayuela

The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone-Wales zz (57) edge the…

介观与纳米尺度物理 · 物理学 2015-11-11 Richard Pincak , Jan Smotlacha , Vladimir A. Osipov

Transmission of low-energetic electrons through two-dimensional materials leads to unique scattering resonances. These resonances contribute to photoemission from occupied bands where they appear as strongly dispersive features of…

材料科学 · 物理学 2017-11-22 M. Krivenkov , D. Marchenko , J. Sánchez-Barriga , O. Rader , A. Varykhalov

Successful isolation of graphene from graphite opened a new era for material science and con- densed matter physics. Due to this remarkable achievement, there has been an immense interest to synthesize new two dimensional materials and to…

介观与纳米尺度物理 · 物理学 2016-08-11 Mehmet Yagmurcukardes , Cihan Bacaksiz , Fadıl Iyikanat , Engin Torun , R. Tugrul Senger , Francois M. Peeters , Hasan Sahin

Materials with optimized band gap are needed in many specialized applications. In this work, we demonstrate that Hellmann-Feynman forces associated with the gap states can be used to find atomic coordinates with a desired electronic density…

材料科学 · 物理学 2015-06-16 Kiran Prasai , Parthapratim Biswas , D. A. Drabold

We investigate theoretically the magnetic levels and optical properties of zigzag- and armchair-edged hexagonal graphene quantum dots (GQDs) utilizing the tight-binding method. A new bound edge state at zero energy appears for the zigzag…

介观与纳米尺度物理 · 物理学 2009-11-13 Z. Z. Zhang , Kai Chang , F. M. Peeters

In this paper a comparative study of the electronic and magnetic properties of quasi-two-dimensional electrons in an artificial graphene-like superlattice composed of circular and elliptical quantum dots is presented. A complete orthonormal…

介观与纳米尺度物理 · 物理学 2023-10-09 Maryam Mansoury , Vram Mughnetsyan , Aram Manaselyan , Albert Kirakosyan , Vidar Gudmundsson , Vigen Aziz-Aghchegala

Topology and electron interactions are two central themes in modern condensed matter physics. Here we propose graphene based systems where both the band topology and interaction effects can be simply controlled with electric fields. We…

强关联电子 · 物理学 2019-02-20 Ya-Hui Zhang , Dan Mao , Yuan Cao , Pablo Jarillo-Herrero , T. Senthil

We investigate the electronic band structure and transport properties of periodically alternating mono- and bi-layer graphene superlattices (MBLG SLs). In such MBLG SLs, there exists a zero-averaged wave vector (zero-$\overline{k}$) gap…

材料科学 · 物理学 2015-12-22 Xiong Fan , Wenjun Huang , Tianxing Ma , Li-Gang Wang , Hai-Qing Lin

We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms…

介观与纳米尺度物理 · 物理学 2010-09-29 Shengjun Yuan , Hans De Raedt , Mikhail I. Katsnelson

The spectrum of two-dimensional (2D) materials beyond graphene offers a remarkable platform to study new phenomena in condensed matter physics. Among these materials, layered hexagonal boron nitride (hBN), with its wide bandgap energy…

We have performed density functional calculations as well as employed a tight-binding theory, to study the effect of passivation of zigzag graphene nanoribbons (ZGNR) by Hydrogen. We show that each edge C atom bonded with 2 H atoms open up…

材料科学 · 物理学 2015-05-19 Sumanta Bhandary , Mikhail I. Katsnelson , Olle Eriksson , Biplab Sanyal

Moire superlattices in twisted bilayer graphene (TBG) and its derived structures can host exotic correlated quantum phenomena because the narrow moire flat minibands in those systems effectively enhance the electron-electron interaction.…

材料科学 · 物理学 2021-10-18 Qiaoling Xu , Yuzheng Guo , Lede Xian

Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants. This property, apart from being directly usable…

材料科学 · 物理学 2011-04-08 Rocco Martinazzo , Simone Casolo , Gian Franco Tantardini

The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A…

介观与纳米尺度物理 · 物理学 2017-02-22 Stephen Carr , Daniel Massatt , Shiang Fang , Paul Cazeaux , Mitchell Luskin , Efthimios Kaxiras

The electronic properties of van der Waals (vdW) structures can be substantially modified by the moire superlattice potential, which strongly depends on the twist angle among the compounds. In twisted bilayer graphene (TBG), two low-energy…

材料科学 · 物理学 2020-12-02 Ya-Ning Ren , Yu Zhang , Yi-Wen Liu , Lin He

Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…

介观与纳米尺度物理 · 物理学 2016-09-27 Tommaso Cavallucci , Khatuna Kakhiani , Riccardo Farchioni , Valentina Tozzini