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Register a new userSimple Cubic Carbon Phase C21-sc: A Promising Superhard Carbon Conductor
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Traditionally, all superhard carbon phases including diamond are electric insulators and all conductive carbon phases including graphite are mechanically soft. Based on first-principles calculation results, we report a superhard but conductive carbon phase C21-sc which can be obtained through increasing the sp3 bonds in the previously proposed soft and conductive phase C20-sc (Phys. Rev. B 74, 172101 2006). We also show that further increase of sp3 bonds in C21-sc results in a superhard and insulating phase C22-sc with sp3 bonds only. With C20-sc, C21-sc, C22-sc and graphite, the X-ray diffraction peaks from the unidentified carbon material synthesized by compressing the mixture of tetracyanoethylene and carbon black (Carbon, 41, 1309, 2003) can be understood. In view of its positive stability, superhard and conductive features, and the strong possibility of existence in previous experiments, C21-sc is a promising multi-functional material with potential applications in extreme conditions.
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Superstructures of cubic and hexagonal diamonds (h- and c-diamond) comprising a family of stable diamond-like $sp^3$ hybridized novel carbon allotropes are proposed, which are referred to as U$_n$-carbon where $n geq 2$ denotes the number of structural layers in a unit cell. The conventional h- and c-diamond are included in this family as members with $n=2$ and 3, respectively. U$_n$-carbon ($n=4-6$), which are unveiled energetically and thermodynamically more stable than h-diamond and possess remarkable kinetic stabilities, are shown to be insulators with indirect gaps of $5.6 sim 5.8$ eV, densities of $ 3.5 sim 3.6$ g/cm$^3$, bulk modulus of $4.3 sim 4.4 times 10^{2}$ GPa, and Vickers hardness of $92.9 sim 97.5$ GPa even harder than h- and c-diamond. The simulated x-ray diffraction and Raman spectra are presented for experimental characterization. These new structures of carbon would have a compelling impact in physics, chemistry, materials science and geophysics.
New carbon forms exhibiting extraordinary physico-chemical properties can be generated from nanostructured precursors under extreme pressure. Nevertheless, synthesis of such fascinating materials is often not well understood that results, as is the case of C60 precursor, in irreproducibility of the results and impeding further progress in the materials design. Here the semiconducting amorphous carbon having bandgaps of 0.1-0.3 eV and the advantages of isotropic superhardness and superior toughness over single-crystal diamond and inorganic glasses are produced from transformation of fullerene at high pressure and moderate temperatures. A systematic investigation of the structure and bonding evolution was carried out by using rich arsenal of complimentary characterization methods, which helps to build a model of the transformation that can be used in further high p,T synthesis of novel nanocarbon systems for advanced applications. The produced amorphous carbon materials have the potential of demanding optoelectronic applications that diamond and graphene cannot achieve
This paper presents an experimental and theoretical study of the distribution of carbon atoms in the octahedral interstitial sites of the face-centered cubic (fcc) phase of the iron-carbon system. The experimental part of the work consists of Mossbauer measurements in Fe-C alloys with up to about 12 atomic percent C, which are interpreted in terms of two alternative models for the distribution of C atoms in the interstitial sites. The theoretical part combines an analysis of the chemical potential of C based on the quasichemical approximation to the statistical mechanics of interstitial solutions, with three-dimensional Monte Carlo simulations. The latter were performed by assuming a gas like mixture of C atoms and vacancies (Va) in the octahedral interstitial sites. The number of C-C, C-Va and Va-Va pairs calculated using Monte Carlo simulations are compared with those given by the quasichemical model. Furthermore, the relative fraction of the various Fe environments were calculated and compared with those extracted from the Mossbauer spectra. The simulations reproduce remarkably well the relative fractions obtained assuming the Fe(8)C(1-y) model for Mossbauer spectra, which includes some blocking of the nearest neighbour interstitial sites by a C atom. With the new experimental and theoretical information obtained in the present study, a critical discussion is reported of the extent to which such blocking effect is accounted for in current thermodynamic models of the Fe-C fcc phase. Abstract PACS Codes: 2.70.Uu, 76.
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We report on the nano-electron beam assisted fabrication of atomically sharp iron-based tips and on the creation of a nano-soldering iron for nano-interconnects using Fe-filled multiwalled carbon nanotubes (MWCNTs). High energy electron beam machining has been proven a powerful tool to modify desired nanostructures for technological applications and to form molecular junctions and interconnections between carbon nanotubes. Recent studies showed the high degree of complexity in the creation of direct interconnections between multiwalled and CNTs having dissimilar diameters. Our technique allows for carving a MWCNT into a nanosoldering iron that was demonstrated capable of joining two separated halves of a tube. This approach could easily be extended to the interconnection of two largely dissimilar CNTs, between a CNT and a nanowire or between two nanowires.
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