We performed first-principles simulations to elucidate the transverse thermoelectric effect (anomalous Nernst effect) of the half-metallic FeCl 2 monolayer. We analyzed its thermoelectricity based on the semiclassical transport theory including the effect of Berry curvature and found that carrier-doping induced a large anomalous Nernst effect that was ∼6.65 μV/K at 100 K if we assumed 10 fs for the relaxation time. This magnitude originates in a large Berry curvature at the K-point of a hexagonal Brillouin zone. These results suggest that two-dimensional ferromagnetic half-metallic materials can potentially be used in thermoelectric devices.
Abstract:The Dirac electron tunneling current in an n-p-n bipolar transistor based on armchair graphene nanoribbon (AGNR) has been modeled. The electron wavefunction was derived by employing the relativistic Dirac equation. The transmittance was derived by using the transfer matrix method (TMM). The Landauer formula was used to calculate the Dirac electron tunneling current. The results showed that various variables such as base-emitter voltage, base-collector voltage and the AGNR width affect the Dirac electron tunneling current. It was found that the Dirac electron tunneling current increases with increasing base-emitter and base-collector voltages. Moreover, the increase in the AGNR width results in the increase in the Dirac electron tunneling current.
-Simulation of tunnel current flowing in a p-n diode made from armchair graphene nanoribbons (AGNRs) was built. The diode is composed of p-type and n-type AGNRs and bandgaps of the AGNRs are obtained by using a tight binding method. The bandgaps are required to describe a potential profile having a potential barrier of the diode. Transmittance of electrons tunneling through the potential barrier is then calculated by employing Airy wavefunctions. Gaussian quadrature method, which is a numerical approximation, is used to obtain tunnel current in the diode. All steps are visualized by using the graphical user interface of Matlab.
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