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Electronic and Thermoelectric Properties in Li-Based Half-Heusler Compounds: A First Principle Study

Abstract

In this paper, we performed a first principle study for new half-Heusler LiSrX(X= N, P, and As) working with WIEN2k code in the frame work of the density functional theory, and the Boltzmann theory. We estimated the exchange-correlation potential by the generalized gradient approximation (GGA). Energetically, the three compounds show a high stability in structure type2, we notice that the lattice constant increased while bulk modulus decreased in replacing the ions of size increasing. Based on our calculations, LiSrN, LiSrP, and LiSrAs compounds are mechanically stable, and show semiconductor nature with indirect band gaps of 1.21, 1.75 for LiSrN and LiSrAs, and direct band gap of 1.94 eV for LiSrP. The thermoelectric properties are calculated for LiSrX (X=N, P, and As) and they found a high power factor for the p-type doping concentration.

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Removal of Methylene Blue by Activated Glass Foams with TiO2 in Dark and Simulated Solar Light

Abstract

The effect of germanium trapezoidal profile shape on the direct current (DC) current gain (βF), cut-off frequency (fT) and maximum oscillation frequency (fMAX) of silicon-germanium (SiGe) hetero-junction bipolar transistors (HBTs) has been investigated. The energy balance (EB), hydrodynamic (HD) and drift-diffusion (DD) physical transport models in SILVACO technology computer aided design (T-CAD) simulator were used. It was found that the current gain values using energy balance model are higher than hydrodynamic and much higher than those corresponding to drift-diffusion. Moreover, decreasing the germanium gradient slope towards the collector side of the base enhances the maximum oscillation frequencies using HD and EB models whilst, they remain stable for DD model.

Open access
Germanium Gradient Optimization for High-Speed Silicon Germanium Hetero-Junction Bipolar Transistors

Abstract

The effect of germanium trapezoidal profile shape on the direct current (DC) current gain (β F), cut-off frequency (f T) and maximum oscillation frequency (f MAX) of silicon-germanium (SiGe) hetero-junction bipolar transistors (HBTs) has been investigated. The energy balance (EB), hydrodynamic (HD) and drift-diffusion (DD) physical transport models in SILVACO technology computer aided design (T-CAD) simulator were used. It was found that the current gain values using energy balance model are higher than hydrodynamic and much higher than those corresponding to drift-diffusion. Moreover, decreasing the germanium gradient slope towards the collector side of the base enhances the maximum oscillation frequencies using HD and EB models whilst, they remain stable for DD model.

Open access
Effectiveness of GEANT4 in Monte Carlo Simulation Studyofphonon Conduction in Sn Host with Si Nanowire Interface

Abstract

We have explored the effectiveness of Geant4 by using it to simulate phonon conduction in Sn Host with Si Nanowire Interface. Our Monte Carlo Simulation shows that the effectiveness of the phonon conduction Geant4 simulation increases when the system attained a steady state of 100 time steps. We have simulated phonon conduction in Sn host with Si nanowire interface using a Geant4Condensed Matter Physics Monte Carlo simulation toolkit in a low cost and less powerful processing computer machine. In the simulation, phonons were displaced inside a computation domain from their initial positions with the velocities and direction vectors assigned to them. A time step was selected so that a phonon can move at most the length of one sub-cell in one time step. Our phonon conduction analysis of SiSn based alloy using Geant4 showed performance enhancement and reasonable predicted thermal values. Numerical predictions of the thermal profile simulations of the values of the temperature in each cell were all within ten percent of the average temperature of Silicon – Tin.

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Appendix A. Arithmetic with Complex Numbers
Chapter 1. Discrete Systems I
The Postulates and Initial Essentials
Chapter 10. The Simple Harmonic Oscillator