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相关论文: Amorphous state of sp$^2$ solid carbon

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The paper presents a joint consideration of Raman spectra of sp2 amorphous carbons alongside with the nature and type of their amorphicity. The latter was attributed to the enforced fragmentation. The fragments, presented with…

材料科学 · 物理学 2020-07-14 E. F. Sheka , Ye. A. Golubev , N. A. Popova

While crystalline two-dimensional materials have become an experimental reality during the past few years, an amorphous 2-D material has not been reported before. Here, using electron irradiation we create an sp2-hybridized one-atom-thick…

材料科学 · 物理学 2011-03-22 J. Kotakoski , A. V. Krasheninnikov , U. Kaiser , J. C. Meyer

We investigate magnetism in amorphous carbon as suggested by the recently reported ferromagnetism in a new form of amorphous carbon. We use spin constrained first-principles simulations to obtain amorphous carbon structures with the desired…

材料科学 · 物理学 2018-07-18 Yuki Sakai , James R. Chelikowsky , Marvin L. Cohen

We report the production and characterization of a form of amorphous carbon films with sp/sp2 hybridization (atomic fraction of sp hybridized species > 20%) where the predominant sp bonding appears to be (=C=C=)n cumulene. Vibrational and…

The carbon monolayer band structure calculated in the approximation of weakly interacting {\pi} electrons corresponds to massless electron excitations known as Dirac fermions not previously observed in any other material. However, if strong…

强关联电子 · 物理学 2015-08-13 Marina V. Krasinkova

The paper presents a cooperative consideration of Raman spectra of $^2$ amorphous carbons as well as the nature and type of their amorphicity. The latter was attributed to the amorphization of a new type named as enforced fragmentation. The…

材料科学 · 物理学 2020-07-16 E. F. Sheka , Ye. A. Golubev , N. A. Popova

By using molecular dynamics simulation, formation mechanisms of amorphous carbon in particular sp${}^3$ rich structure was researched. The problem that reactive empirical bond order potential cannot represent amorphous carbon properly was…

材料科学 · 物理学 2015-06-05 Atsushi M. Ito , Arimichi Takayama , Seiki Saito , Hiroaki Nakamura

Four sp3 carbon allotropes with six, eight, and 16 atoms per primitive cell have been derived using a combination of metadynamics simulations and topological scan. A chiral orthorhombic phase oC16 (C2221) was found to be harder than…

材料科学 · 物理学 2012-06-26 Daniele Selli , Igor A. Baburin , Roman Martoňák , Stefano Leoni

Amorphous solids represent the extreme limit of broken translational symmetry, in which the absence of long-range order removes well-defined crystal momenta and invalidates the Bloch description of electronic states. Monolayer amorphous…

Suggested in the paper is the consideration of stable radicals of sp2 nanocarbons from the standpoint of spin-delocalized topochemistry. Characterized in terms of the total and atomically-partitioned number of effectively unpaired electrons…

介观与纳米尺度物理 · 物理学 2019-09-17 Elena F. Sheka

We propose previously unknown allotropes of phosphorus carbide (PC) in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition between sp2 bonding found in graphitic C and sp3 bonding…

材料科学 · 物理学 2016-05-25 Jie Guan , Dan Liu , Zhen Zhu , David Tomanek

The interplay of $sp^2$- and $sp^3$-type bonding defines silicon allotropes in two- and three-dimensional forms. A novel two-dimensional phase bearing structural resembleance to a single MoS$_2$ layer is found to possess a lower total…

Monte Carlo simulations, supplemented by ab initio calculations, shed light into the energetics and thermodynamic stability of nanostructured amorphous carbon. The interaction of the embedded nanocrystals with the host amorphous matrix is…

材料科学 · 物理学 2009-11-11 Maria G. Fyta , Pantelis C. Kelires

Bulk amorphous materials have been studied extensively and are widely used, yet their atomic arrangement remains an open issue. Although they are generally believed to be Zachariasen continuous random networks, recent experimental evidence…

Quasi-continuous structural transformation from the crystalline to amorphous state takes place in graphite during ball-milling. The quantitative characteristics of a short- and a medium-range orders in carbon nanomaterials structure are…

材料科学 · 物理学 2014-12-08 A. D. Rud , I. M. Kirian , A. M. Lakhnik

Carbon is likely the most fascinating element of the periodic table because of the diversity of its allotropes stemming from its variable (sp, sp2, and sp3) bonding motifs. Exploration of new forms of carbon has been an eternal theme of…

We report the experimental and theoretical investigation of the growth and of the structure of large carbon clusters produced in a supersonic expansion by a pulsed microplasma source. The absence of a significant thermal annealing during…

Two-dimensional heterostructures combining sp-sp2 hybridization,blending graphene with graphyne-based allotropes, offer substantial potential for enhancing the tunability of electronic and transport properties while providing significant…

A novel form of amorphous carbon with sp-sp2 hybridization has been recently produced by supersonic cluster beam deposition showing the presence in the film of both polyynic and cumulenic species [L. Ravagnan et al. Phys. Rev. Lett. 98,…

Carbon's versatility allows it to form diverse structures with unique properties, driven by its moderate electronegativity, small ionic radius, and ability to adopt \textit{sp}, \textit{sp\textsuperscript{2}}, and…

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