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Silicon represents a common intrinsic impurity in graphene, commonly bonding to either three or four carbon neighbors respectively in a single or double carbon vacancy. We investigate the effect of the latter defect (Si-C$_4$) on the…

The nature of electron correlations in bilayer graphene has been investigated. An analytic expression for the radial distribution function is derived for an ideal electron gas and the corresponding static structure factor is evaluated. We…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 D. S. L. Abergel , Tapash Chakraborty

Bilayer graphene bears an eight-fold degeneracy due to spin, valley and layer symmetry, allowing for a wealth of broken symmetry states induced by magnetic or electric fields, by strain, or even spontaneously by interaction. We study the…

Mesoscale and Nanoscale Physics · Physics 2012-02-15 F. Freitag , J. Trbovic , M. Weiss , C. Schönenberger

We study ballistic transport in periodically gated bilayer graphene as a candidate for a 2D electronic metamaterial. Our calculations use the equilibrium Green function formalism and take into account quantum corrections to charge density…

Mesoscale and Nanoscale Physics · Physics 2020-03-18 Xianqing Lin , David Tomanek

Few layer graphene systems such as Bernal stacked bilayer and rhombohedral (ABC-) stacked trilayer offer the unique possibility to open an electric field tunable energy gap. To date, this energy gap has been experimentally confirmed in…

Mesoscale and Nanoscale Physics · Physics 2023-07-19 T. Khodkov , I Khrapach , M. F. Craciun , S. Russo

We show that when a molecular junction is under an external bias, its properties can not be uniquely determined by the total electron density in the same manner as the density functional theory (DFT) for ground state (GS) properties. In…

Mesoscale and Nanoscale Physics · Physics 2013-11-26 Shuanglong Liu , Yuan Ping Feng , Chun Zhang

We present an ab initio study of the structural, electronic, and quantum transport properties of B-N-complex edge-doped graphene nanoribbons (GNRs). We find that the B-N edge codop-ing is energetically a very favorable process and…

Mesoscale and Nanoscale Physics · Physics 2015-03-10 Seong Sik Kim , Han Seul Kim , Hyo Seok Kim , Yong-Hoon Kim

Using electrical transport experiments and shot noise thermometry, we investigate electron-phonon heat transfer rate in a suspended bilayer graphene. Contrary to monolayer graphene with heat flow via three-body supercollision scattering, we…

Mesoscale and Nanoscale Physics · Physics 2014-09-23 Antti Laitinen , Manohar Kumar , Mika Oksanen , Bernard Plaçais , Pauli Virtanen , Pertti Hakonen

In contrast to monolayer graphene, in bilayer graphene (BLG) one can induce a tunable bandgap by applying an external electric field, which makes it suitable for field effect applications. Extrinsic doping of BLGs enriches the electronic…

Mesoscale and Nanoscale Physics · Physics 2019-02-22 G. A. Namnes , T. L. Mitran , A. Manolescu , Daniela Dragoman

Double-gated graphene devices provide an important platform for understanding electrical and optical properties of graphene. Here we present transport measurements of single layer, bilayer and trilayer graphene devices with suspended top…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 J. Velasco , Y. Lee , L. Jing , G. Liu , W. Bao , C. N. Lau

We review the transmission of Dirac electrons through a potential barrier in the presence of circularly polarized light. A different type of transmission is demonstrated and explained. Perfect transmission for nearly head-on collision in…

Mesoscale and Nanoscale Physics · Physics 2014-08-28 Godfrey Gumbs , Danhong Huang , Andrii Iurov , Bo Gao

Using mean-field theory, we determine the electronic phase diagram of undoped AB-stacked bilayer graphene in the presence of a transverse electric field. In addition to multiple competing electronic instabilities characterized by excitonic…

Mesoscale and Nanoscale Physics · Physics 2026-02-13 A. V. Rozhkov , A. O. Sboychakov , A. L. Rakhmanov

We present electronic structure calculations of twisted double bilayer graphene (TDBG): A tetralayer graphene structure composed of two AB-stacked graphene bilayers with a relative rotation angle between them. Using first-principles…

Mesoscale and Nanoscale Physics · Physics 2019-11-05 F. J. Culchac , Rodrigo B. Capaz , Leonor Chico , E. Suarez Morell

We investigate band-gap tuning of bilayer graphene between hexagonal boron nitride sheets, by external electric fields. Using density functional theory, we show that the gap is continuously tunable from 0 to 0.2 eV, and is robust to…

Materials Science · Physics 2015-05-20 Ashwin Ramasubramaniam , Doron Naveh , ELias Towe

Using first-principles density functional perturbation theory based calculations of length-dependent lattice thermal conductivity (\k{appa} L ) and using our previously calculated results (Phys Rev B 95 085435 (2017)) of electrical…

Mesoscale and Nanoscale Physics · Physics 2018-10-17 Ransell D'Souza , Sugata Mukherjee

In this paper, we study the quantum properties of a bilayer graphene with (asymmetry) line defects. The localized states are found around the line defects. Thus, the line defects on one certain layer of the bilayer graphene can lead to an…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 Xiao-Ming Zhao , Ya-Jie Wu , Chan Chen , Ying Liang , Su-Peng Kou

We review our recent time- and angle-resolved photoemission spectroscopy experiments, which measure the transient electronic structure of optically driven graphene. For pump photon energies in the near infrared…

Materials Science · Physics 2016-08-10 Isabella Gierz , Andrea Cavalleri

In this work, the electronic and optical properties of a Nitrogen (N) or a Boron (B) doped BeO monolayer are investigated in the framework of density functional theory. It is known that the band gap of a BeO monolayer is large leading to…

Using density functional theory (DFT), we study charge transfer between hexagonal boron nitride (h-BN) point defects and graphene in h-BN/graphene heterostructures for a range of intrinsic defects -- nitrogen vacancy, boron vacancy,…

Materials Science · Physics 2023-11-09 Madhava Krishna Prasad , Oras A. Al-Ani , Jonathan P. Goss , Jonathan D. Mar

Single layer core/shell structures consisting of graphene as core and hexagonal boron nitride as shell are studied using first-principles plane wave method within density functional theory. Electronic energy level structure is analysed as a…

Mesoscale and Nanoscale Physics · Physics 2014-08-05 S. Cahangirov , S. Ciraci