Expressions for dependences of the pre-exponential factor σ3 and the thermal activation energy ε3 of hopping electric conductivity of holes via boron atoms on the boron atom concentration N and the compensation ratio K are obtained in the quasiclassical approximation. It is assumed that the acceptors (boron atoms) in charge states (0) and (−1) and the donors that compensate them in the charge state (+1) form a nonstoichiometric simple cubic lattice with translational period Rh = [(1 + K)N ] −1/3 within the crystalline matrix. A hopping event occurs only over the distance Rh at a thermally activated accidental coincidence of the acceptor levels in charge states (0) and (−1). Donors block the fraction K/(1 − K) of impurity lattice sites. The hole hopping conductivity is averaged over all possible orientations of the lattice with respect to the external electric field direction. It is supposed that an acceptor band is formed by Gaussian fluctuations of the potential energy of boron atoms in charge state (−1) due to Coulomb interaction only between the ions at distance Rh. The shift of the acceptor band towards the top of the valence band with increasing N due to screening (in the Debye-Hückel approximation) of the impurity ions by holes hopping via acceptor states was taken into account. The calculated values of σ3(N ) and ε3(N ) for K ≈ 0.25 agree well with known experimental data at the insulator side of the insulator-metal phase transition. The calculation is carried out at a temperature two times lower than the transition temperature from hole transport in v-band of diamond to hopping conductance via boron atoms.
We review the principles of formation, physical properties, and current or envisaged applications for a wide range of carbon allotropic forms. We discuss experimental and theoretical advances relating to staple zero-, one-, and two-dimensional carbon structures, such as fullerenes, carbon nanotubes, and graphene. In addition we emphasize research on emerging carbon allotropes (carbon nanoscrolls, funnels, etc) that result from combining or deforming allotropic forms with well-defined dimensionality. Such materials fall in-between clearly delineated dimensional categories and consequently exhibit unique characteristics that are promising for electronic, optical, and mechanical applications. We also consider other approaches to tuning properties of carbon-based materials, such as chemical functionalization, intentional introduction of structural disorder, and placement of guest atoms or molecules inside hollow structures. Finally, we discuss the properties of and experimental methods for studying zero-dimensional systems (paramagnetic nitrogen impurity atoms) in diamond matrix. The review emphasizes the interplay between the various material properties of carbon-based nanostructures and the designs for nanoscale devices that rely on synergistic combinations of these properties. For example, an electromechanical vibrator, a strain sensor, a nanodynamometer, and a nanoelectromechanical memory cell that we describe exploit both electronic and nanomechanical properties of low-dimensional carbon structures, a reed switch and a magnetic field sensor use magnetic and nanomechanical properties, a maser based on nitrogen-doped diamond uses thermal and optoelectronic properties, etc. All presented device concepts have been validated by calculations, and some have been implemented experimentally.
A quasi-classical model of ionization equilibrium in the p-type diamond between hydrogen-like acceptors (boron atoms which substitute carbon atoms in the crystal lattice) and holes in the valence band (v-band) is proposed. The model is applicable on the insulator side of the insulatormetal concentration phase transition (Mott transition) in p-Dia:B crystals. The densities of the spatial distributions of impurity atoms (acceptors and donors) and of holes in the crystal are considered to be Poissonian, and the fluctuations of their electrostatic potential energy are considered to be Gaussian. The model accounts for the decrease in thermal ionization energy of boron atoms with increasing concentration, as well as for electrostatic fluctuations due to the Coulomb interaction limited to two nearest point charges (impurity ions and holes). The mobility edge of holes in the v-band is assumed to be equal to the sum of the threshold energy for diffusion percolation and the exchange energy of the holes. On the basis of the virial theorem, the temperature T j is determined, in the vicinity of which the dc band-like conductivity of holes in the v-band is approximately equal to the hopping conductivity of holes via the boron atoms. For compensation ratio (hydrogen-like donor to acceptor concentration ratio) K % 0.15 and temperature T j , the concentration of "free" holes in the v-band and their jumping (turbulent) drift mobility are calculated. Dependence of the differential energy of thermal ionization of boron atoms (at the temperature 3T j /2) as a function of their concentration N is calculated. The estimates of the extrapolated into the temperature region close to T j hopping drift mobility of holes hopping from the boron atoms in the charge states (0) to the boron atoms in the charge states (À1) are given. Calculations based on the model show good agreement with electrical conductivity and Hall effect measurements for p-type diamond with boron atom concentrations in the range from 3 Â 10 17 to 3 Â 10 20 cm À3 , i.e., up to the Mott transition. The model uses no fitting parameters. Published by AIP Publishing.
The Kekule structure of the ground state of (5,5) armchair carbon nanotube is revealed by semiempirical molecular orbital calculations. This structure has bonds with two different bond lengths, differing by 0.003 nm. The ground state has tripled (compared to undistorted case) translational period due to Peierls distortions. Two first order structural phase transitions controlled by the tension are predicted at zero temperature. These transitions correspond to 5% and 13% elongations of a uniaxially deformed (5,5) nanotube. The narrow gap semiconductor to metal transition is predicted at 5% elongation of the nanotube.Comment: 6 pages, 5 figure
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