scholarly journals Ultrafast carrier’s dynamics with scattering rate saturation in Ge thinfilms

Author(s):  
Praveen Saxena ◽  
Fanish Kumar Gupta ◽  
Anshika Srivastava ◽  
Pankaj Srivastava ◽  
Anshu Saxena

<p>An innovative theoretical approach for deeper understanding of the ultrafast spectroscopy experiments through solution of the Boltzmann transport equation coupled with various nonlinear scattering mechanisms, overcoming the limitations offered by DFT, RT-TDDFT and molecular based methods, is reported. A clear advantage of the real-time approach is that it does not make a priori assumptions about specific scattering, relaxation mechanisms and has capabilities to capture the full real-time carrier’s dynamics, including the superposition of all electron–electron, electron-lattice and electron–phonon scatterings etc. No such method with advances in theoretical treatments to explain ultrafast spectroscopy has been reported previously as per the author’s knowledge.</p>

2021 ◽  
Author(s):  
Praveen Saxena ◽  
Fanish Kumar Gupta ◽  
Anshika Srivastava ◽  
Pankaj Srivastava ◽  
Anshu Saxena

<p>An innovative theoretical approach for deeper understanding of the ultrafast spectroscopy experiments through solution of the Boltzmann transport equation coupled with various nonlinear scattering mechanisms, overcoming the limitations offered by DFT, RT-TDDFT and molecular based methods, is reported. A clear advantage of the real-time approach is that it does not make a priori assumptions about specific scattering, relaxation mechanisms and has capabilities to capture the full real-time carrier’s dynamics, including the superposition of all electron–electron, electron-lattice and electron–phonon scatterings etc. No such method with advances in theoretical treatments to explain ultrafast spectroscopy has been reported previously as per the author’s knowledge.</p>


Author(s):  
Arpit Mittal ◽  
Sandip Mazumder

A generalized form of the Ballistic-Diffusive Equations (BDE) for approximate solution of the Boltzmann Transport Equation (BTE) for phonons is formulated. The formulation presented here is new and general in the sense that, unlike previously published formulations of the BDE, it does not require a priori knowledge of the specific heat capacity of the material. Furthermore, it does not introduce artifacts such as media and ballistic temperatures. As a consequence, the boundary conditions have clear physical meaning. In formulating the BDE, the phonon intensity is split into two components: ballistic and diffusive. The ballistic component is traditionally determined using a viewfactor formulation, while the diffusive component is solved by invoking spherical harmonics expansions. Use of the viewfactor approach for the ballistic component is prohibitive for complex large-scale geometries. Instead, in this work, the ballistic equation is solved using two different established methods that are appropriate for use in complex geometries, namely the discrete ordinates method (DOM), and the control angle discrete ordinates method (CADOM). Results of each method for solving the BDE are compared against benchmark Monte Carlo results, as well as solutions of the BTE using standalone DOM and CADOM for a two-dimensional transient heat conduction problem at various Knudsen numbers. It is found that standalone CADOM (for BTE) and hybrid CADOM-P1 (for BDE) yield the best accuracy. The hybrid CADOM-P1 is found to be the best method in terms of computational efficiency.


2011 ◽  
Vol 133 (9) ◽  
Author(s):  
Arpit Mittal ◽  
Sandip Mazumder

A generalized form of the ballistic-diffusive equations (BDEs) for approximate solution of the Boltzmann Transport equation (BTE) for phonons is formulated. The formulation presented here is new and general in the sense that, unlike previously published formulations of the BDE, it does not require a priori knowledge of the specific heat capacity of the material. Furthermore, it does not introduce artifacts such as media and ballistic temperatures. As a consequence, the boundary conditions have clear physical meaning. In formulating the BDE, the phonon intensity is split into two components: ballistic and diffusive. The ballistic component is traditionally determined using a viewfactor formulation, while the diffusive component is solved by invoking spherical harmonics expansions. Use of the viewfactor approach for the ballistic component is prohibitive for complex large-scale geometries. Instead, in this work, the ballistic equation is solved using two different established methods that are appropriate for use in complex geometries, namely the discrete ordinates method (DOM) and the control angle discrete ordinates method (CADOM). Results of each method for solving the BDE are compared against benchmark Monte Carlo results, as well as solutions of the BTE using standalone DOM and CADOM for two different two-dimensional transient heat conduction problems at various Knudsen numbers. It is found that standalone CADOM (for BTE) and hybrid CADOM-P1 (for BDE) yield the best accuracy. The hybrid CADOM-P1 is found to be the best method in terms of computational efficiency.


2017 ◽  
Vol 139 (10) ◽  
Author(s):  
Ajit K. Vallabhaneni ◽  
Liang Chen ◽  
Man P. Gupta ◽  
Satish Kumar

Several studies have validated that diffusive Fourier model is inadequate to model thermal transport at submicron length scales. Hence, Boltzmann transport equation (BTE) is being utilized to improve thermal predictions in electronic devices, where ballistic effects dominate. In this work, we investigated the steady-state thermal transport in a gallium nitride (GaN) film using the BTE. The phonon properties of GaN for BTE simulations are calculated from first principles—density functional theory (DFT). Despite parallelization, solving the BTE is quite expensive and requires significant computational resources. Here, we propose two methods to accelerate the process of solving the BTE without significant loss of accuracy in temperature prediction. The first one is to use the Fourier model away from the hot-spot in the device where ballistic effects can be neglected and then couple it with a BTE model for the region close to hot-spot. The second method is to accelerate the BTE model itself by using an adaptive model which is faster to solve as BTE for phonon modes with low Knudsen number is replaced with a Fourier like equation. Both these methods involve choosing a cutoff parameter based on the phonon mean free path (mfp). For a GaN-based device considered in the present work, the first method decreases the computational time by about 70%, whereas the adaptive method reduces it by 60% compared to the case where full BTE is solved across the entire domain. Using both the methods together reduces the overall computational time by more than 85%. The methods proposed here are general and can be used for any material. These approaches are quite valuable for multiscale thermal modeling in solving device level problems at a faster pace without a significant loss of accuracy.


2014 ◽  
Vol 185 (6) ◽  
pp. 1747-1758 ◽  
Author(s):  
Wu Li ◽  
Jesús Carrete ◽  
Nebil A. Katcho ◽  
Natalio Mingo

2008 ◽  
Vol 35 (6) ◽  
pp. 1098-1108 ◽  
Author(s):  
A.G. Buchan ◽  
C.C. Pain ◽  
M.D. Eaton ◽  
R.P. Smedley-Stevenson ◽  
A.J.H. Goddard

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