Abstract : Elucidating the key factors that determine the lengths of single-walled carbon nanotubes (SWCNTs) is of great importance for understanding the origin of chiral selectivity. We use transmission electron microscopy to thoroughly investigate as-grown SWCNTs...
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Abstract : This work examines the importance of vibrational delocalization on a basic thermomechanical property of a hexagonal boron nitride monolayer, namely its thermal expansion coefficient (TEC). Using a recently parametrized bond-order potential of the Tersoff type...
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Abstract : The carbon rich phase diagrams of nickel-carbon nanoparticles, relevant to catalysis and catalytic chemical vapor deposition synthesis of carbon nanotubes, are calculated for system sizes up to about 3 nm (807 Ni atoms)...
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Abstract : Measurements and calculations have shown significant disagreement regarding the sign and temperature variations of the thermal expansion coefficient (TEC) of graphene $\alpha \left(T\right)$...
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Abstract : The thermodynamical properties of free-standing graphene have been investigated under constant zero pressure as a function of temperature using Monte Carlo simulations. A variety of atomistic models have been used, including the simple three-body Stillinger potential...
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Abstract : Based on the embedded-atom method (EAM), an analytical effective potential is developed to model the interaction of a metallic adsorbate on a perfect crystalline substrate, which is also metallic...
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Abstract : We investigate in this paper properties of the spin resistivity in magnetic semiconducting MnTe of the NiAs structure. MnTe is a crossroad semiconductor with a large band gap. It is an antiferromagnet with a Néel temperature around 310 K. Due to this high Néel temperature, there are many applications using its magnetic properties...
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• Monte Carlo simulation
• Spin resistivity
• Spin transport in magnetic materials

Abstract : Spin resistivity R has been shown to result mainly from the scattering of itinerant spins with magnetic impurities and lattice spins. R is proportional to the spin–spin correlation so that its behavior is very complicated near and at the magnetic phase transition of the lattice spins...
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Abstract : We study in this paper the resistivity encountered by Ising itinerant spins traveling in the so-called J1 - J2 frustrated simple cubic Ising lattice. For the lattice, we take into account the interactions between nearest-neighbors and next-nearest-neighbors, J1 and J2 respectively. Itinerant spins interact with lattice spins via a distance-dependent interaction. We also take into account an interaction between itinerant spins. The lattice is frustrated in a range of J2 in which we show that it undergoes a very strong first-order transition. Using Monte Carlo simulation, we calculate the resistivity ρ of the itinerant spins and show that the first-order transition of the lattice causes a discontinuity of ρ...
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Abstract : In this paper we study the parallel spin current in an antiferromagnetic semiconductor thin film where we take into account the interaction between itinerant spins and lattice spins. The spin model is an anisotropic Heisenberg model. Here we use the Boltzmann equation with numerical data on cluster distribution obtained by Monte Carlo simulations and cluster-construction algorithms...
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