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Journal ArticleDOI

Electronics and magnetism of patterned graphene nanoroads.

Abhishek K. Singh, +1 more
- 18 Mar 2009 - 
- Vol. 9, Iss: 4, pp 1540-1543
TLDR
This work explores, using density functional theory, an alternative possibility of "nanoroads" of pristine graphene being carved in the electrically insulating matrix of fully hydrogenated carbon sheet (graphane).
Abstract
Individual ribbons of graphene show orientation-dependent electronic properties of great interest, yet to ensure their perfect geometry and integrity or to assemble free ribbons into a device remains a daunting task. Here we explore, using density functional theory, an alternative possibility of “nanoroads” of pristine graphene being carved in the electrically insulating matrix of fully hydrogenated carbon sheet (graphane). Such one-dimensional entities show individual characteristics and, depending upon zigzag (and their magnetic state) or armchair orientation, can be metallic or semiconducting. Furthermore, the wide enough zigzag roads become magnetic with energetically similar ferro- and antiferromagnetic states. Designing magnetic, metallic, and semiconducting elements within the same mechanically intact sheet of graphene presents a new opportunity for applications.

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Citations
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Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

TL;DR: Approaches, Derivatives and Applications Vasilios Georgakilas,† Michal Otyepka,‡ Athanasios B. Bourlinos,† Vimlesh Chandra, Namdong Kim, K. Kim,§,⊥ Radek Zboril,*,‡ and Kwang S. Kim.
Journal ArticleDOI

Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems

Andrea C. Ferrari, +68 more
- 04 Mar 2015 - 
TL;DR: An overview of the key aspects of graphene and related materials, ranging from fundamental research challenges to a variety of applications in a large number of sectors, highlighting the steps necessary to take GRMs from a state of raw potential to a point where they might revolutionize multiple industries are provided.
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Production and processing of graphene and 2d crystals

TL;DR: Graphene is at the center of an ever growing research effort due to its unique properties, interesting for both fundamental science and applications as mentioned in this paper, and a key requirement for applications is the development of industrial-scale, reliable, inexpensive production processes.
Journal ArticleDOI

Properties of graphene: a theoretical perspective

TL;DR: In this article, the authors provide an in-depth description of the physics of monolayer and bilayer graphene fermions, where the quasiparticles are massive chiral Dirac Fermions.
Journal ArticleDOI

Wafer-Scale Growth of Single-Crystal Monolayer Graphene on Reusable Hydrogen-Terminated Germanium

TL;DR: Wafer-scale growth of wrinkle-free single-crystal monolayer graphene on silicon wafer using a hydrogen-terminated germanium buffer layer is described, which enabled the facile etch-free dry transfer of graphene and the recycling of thegermanium substrate for continual graphene growth.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Projector augmented-wave method

TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI

From ultrasoft pseudopotentials to the projector augmented-wave method

TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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Electric Field Effect in Atomically Thin Carbon Films

TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
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