scholarly journals Tight Binding Simulation of Quantum Transport in Interband Tunneling Devices

VLSI Design ◽  
2001 ◽  
Vol 13 (1-4) ◽  
pp. 69-74
Author(s):  
Matsuto Ogawa ◽  
Ryuichiro Tominaga ◽  
Tanroku Miyoshi

We have studied quantum transport in both Si and GaAs interband tunneling diodes (ITD's). In the simulation, a non-equilibrium Green's function method based an empirical tight binding theory has been used to take into account evanescent-wave matching at interfaces and realistic band structures. Comparison has been made between the results of our multiband (MB) model and those of conventional two-band (2B) model. As a result, it is found that the current–voltage (I–V) characteristics of the Si ITD have considerably smaller peak current density than the conventional 2B model, since our MB model reflects correctly the indirect gap band structure. On the other hand, in the GaAs ITD, there is small difference between the two models, because tunneling occurs between the conduction band and the valence band at F point. It is also found that the matching of evanescent electron modes is essentially necessary to include the valley-mixing effects at the tunneling interfaces.

2004 ◽  
Vol 96 (7) ◽  
pp. 3848-3851 ◽  
Author(s):  
E. Khorenko ◽  
W. Prost ◽  
F.-J. Tegude ◽  
M. Stoffel ◽  
R. Duschl ◽  
...  

2020 ◽  
Vol 11 ◽  
pp. 1036-1044
Author(s):  
Babak Sakkaki ◽  
Hassan Rasooli Saghai ◽  
Ghafar Darvish ◽  
Mehdi Khatir

Recent experiments suggest graphene-based materials as candidates in future electronic and optoelectronic devices. In this paper, we propose to investigate new photodetectors based on graphene nanomeshes (GNMs). Density functional theory (DFT) calculations are performed to gain insight into electronic and optical characteristics of various GNM structures. To investigate the device-level properties of GNMs, their current–voltage characteristics are explored by DFT-based tight-binding (DFTB) in combination with non-equilibrium Green’s function (NEGF) methods. Band structure analysis shows that GNMs have both metallic and semiconducting properties depending on the arrangements of perforations. Also, absorption spectrum analysis indicates attractive infrared peaks for GNMs with semiconducting characteristics, making them better photodetectors than graphene nanoribbon (GNR)-based alternatives. The results suggest that GNMs can be potentially used in mid-infrared detectors with specific detectivity values that are 100-fold that of graphene-based devices and 1000-fold that of GNR-based devices. Hence, the special properties of graphene combined with the quantum feathers of the perforation makes it suitable for optical devices.


Entropy ◽  
2019 ◽  
Vol 21 (8) ◽  
pp. 735 ◽  
Author(s):  
Leonardo Medrano Sandonas ◽  
Rafael Gutierrez ◽  
Alessandro Pecchia ◽  
Alexander Croy ◽  
Gianaurelio Cuniberti

A crucial goal for increasing thermal energy harvesting will be to progress towards atomistic design strategies for smart nanodevices and nanomaterials. This requires the combination of computationally efficient atomistic methodologies with quantum transport based approaches. Here, we review our recent work on this problem, by presenting selected applications of the PHONON tool to the description of phonon transport in nanostructured materials. The PHONON tool is a module developed as part of the Density-Functional Tight-Binding (DFTB) software platform. We discuss the anisotropic phonon band structure of selected puckered two-dimensional materials, helical and horizontal doping effects in the phonon thermal conductivity of boron nitride-carbon heteronanotubes, phonon filtering in molecular junctions, and a novel computational methodology to investigate time-dependent phonon transport at the atomistic level. These examples illustrate the versatility of our implementation of phonon transport in combination with density functional-based methods to address specific nanoscale functionalities, thus potentially allowing for designing novel thermal devices.


Electronics ◽  
2021 ◽  
Vol 10 (3) ◽  
pp. 253
Author(s):  
Yosang Jeong ◽  
Hoon Ryu

The non-equilibrium Green’s function (NEGF) is being utilized in the field of nanoscience to predict transport behaviors of electronic devices. This work explores how much performance improvement can be driven for quantum transport simulations with the aid of manycore computing, where the core numerical operation involves a recursive process of matrix multiplication. Major techniques adopted for performance enhancement are data restructuring, matrix tiling, thread scheduling, and offload computing, and we present technical details on how they are applied to optimize the performance of simulations in computing hardware, including Intel Xeon Phi Knights Landing (KNL) systems and NVIDIA general purpose graphic processing unit (GPU) devices. With a target structure of a silicon nanowire that consists of 100,000 atoms and is described with an atomistic tight-binding model, the effects of optimization techniques on the performance of simulations are rigorously tested in a KNL node equipped with two Quadro GV100 GPU devices, and we observe that computation is accelerated by a factor of up to ∼20 against the unoptimized case. The feasibility of handling large-scale workloads in a huge computing environment is also examined with nanowire simulations in a wide energy range, where good scalability is procured up to 2048 KNL nodes.


2013 ◽  
Vol 58 (1-2) ◽  
pp. 282-287 ◽  
Author(s):  
Chun-Nan Chen ◽  
Sheng-Hsiung Chang ◽  
Wei-Long Su ◽  
Jen-Yi Jen ◽  
Yiming Li

1990 ◽  
Vol 57 (25) ◽  
pp. 2675-2677 ◽  
Author(s):  
E. T. Yu ◽  
D. A. Collins ◽  
D. Z.‐Y. Ting ◽  
D. H. Chow ◽  
T. C. McGill

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