Semiconducting graphene nanoribbon retains band gap on amorphous or crystalline SiO_2

Electronic properties of a semiconducting armchair graphene nanoribbon on SiO_2 are examined using first-principles calculations and taking into account the van der Waals interaction. Unlike semiconducting carbon nanotubes, which exhibit variations in band gap on SiO_2, the nanoribbon is found to retain its band gap on SiO_2, regardless of the separation distance or the dielectric’s surface type—crystalline or amorphous. The interfacial interaction leads to electron-transfer from the nanoribbon to the dielectric. Moreover, for crystalline SiO_2, the quantity of electron-transfer and the binding energy depend strongly on the type of surface termination and weakly on the binding sites

Charged Particles' Tunneling from Hot-NUT-Kerr-Newman-Kasuya Spacetime

We study the Hawking radiation as charged particles' tunneling across the horizons of the Hot-NUT-Kerr-Newman-Kasuya spacetime by considering the spacetime background as dynamical and incorporating the self-gravitation effect of the emitted particles when the energy conservation, the angular momentum conservation, and the electric charge conservation are taken into account. Our result shows that the tunneling rate is related to the change of Bekenstein-Hawking entropy and the radiant spectrum is not pure thermal, but is consistent with an underlying unitary theory. The emission process is a reversible one, and the information is preserved as a natural result of the first law of black hole thermodynamics.Comment: To appear in: Int. J. Theor. Phy

High Seebeck coefficient and ultra-low lattice thermal conductivity in Cs2InAgCl6

The elastic, electronic and thermoelectric properties of indium-based double-perovskite halide, Cs2InAgCl6 have been studied by first principles study. The Cs2InAgCl6 is found to be elastically stable, ductile, anisotropic and relatively low hard material. The calculated direct bandgap 3.67 eV by TB-mBJ functional fairly agrees with the experimentally measured value 3.3 eV but PBE functional underestimates the bandgap by 1.483 eV. The relaxation time and lattice thermal conductivity have been calculated by using relaxation time approximation (RTA) within the supercell approach. The lattice thermal conductivity (\k{appa}l) is quite low (0.2 Wm-1K-1). The quite low phonon group velocity in the large weighted phase space, and high anharmonicity (large phonon scattering) are responsible for small \k{appa}l. The room temperature Seebeck coefficient is 199 {\mu}VK-1. Such high Seebeck coefficient arises from the combination of the flat conduction band and large bandgap. We obtain power factors at 300K by using PBE and TB-mBJ potentials are ~29 and ~31 mWm-1K-2, respectively and the corresponding thermoelectric figure of merit of Cs2BiAgCl6 are 0.71 and 0.72. However, the maximum ZT value obtained at 700K is ~0.74 by TB-mBJ potential. The obtained results implies that Cs2InAgCl6 is a promising material for thermoelectric device applications.Comment: 19 pages. arXiv admin note: text overlap with arXiv:1801.0370