Volume 22, Issue 5

Search all Journal of Computational Electronics articles

October 2023

Special Issue on Ab initio simulations of electron and phonon transport in nanostructures

Issue Editors:

Mathieu Luisier,
Samuel Poncé

38 articles in this issue

Special issue on ab initio simulations of electron and phonon transport in nanostructures
Mathieu Luisier
Samuel Poncé
EditorialNotes 14 September 2023 Pages: 1165 - 1166
Efficient device simulations using density functional theory Hamiltonian and non-equilibrium Green’s function: heterostructure mode space method and core charge approximation
Seonghyeok Jeon
Mincheol Shin
OriginalPaper 22 May 2023 Pages: 1167 - 1180
RSDFT-NEGF transport simulations in realistic nanoscale transistors
Gennady Mil’nikov
Jun-ichi Iwata
Atsushi Oshiyama
OriginalPaper Open access 20 June 2023 Pages: 1181 - 1201
Full charge incorporation in ab initio simulations of two-dimensional semiconductor-based devices
Rutger Duflou
Michel Houssa
Aryan Afzalian
OriginalPaper Open access 08 June 2023 Pages: 1202 - 1214
Recursive Green’s functions optimized for atomistic modelling of large superlattice-based devices
V. Hung Nguyen
J. -C. Charlier
OriginalPaper 19 June 2023 Pages: 1215 - 1230
DFTBephy: A DFTB-based approach for electron–phonon coupling calculations
Alexander Croy
Elif Unsal
Alessandro Pecchia
OriginalPaper Open access 29 April 2023 Pages: 1231 - 1239
Monte Carlo study of carrier transport in two-dimensional transition metal dichalcogenides: high-field characteristics and MOSFET simulation
Sanjay Gopalan
Shoaib Mansoori
Massimo Fischetti
OriginalPaper 06 July 2023 Pages: 1240 - 1256
Ab-initio simulation of dissipative transport in tunnel devices based on heterostructures of 2D materials
Adel M’foukh
Jérôme Saint-Martin
Marco Pala
OriginalPaper 11 July 2023 Pages: 1257 - 1263
Electronic transport computation in thermoelectric materials: from ab initio scattering rates to nanostructures
Neophytos Neophytou
Pankaj Priyadarshi
Patrizio Graziosi
OriginalPaper Open access 09 July 2023 Pages: 1264 - 1280
Semiclassical electron and phonon transport from first principles: application to layered thermoelectrics
Anderson S. Chaves
Michele Pizzochero
Efthimios Kaxiras
OriginalPaper 21 June 2023 Pages: 1281 - 1309
Electrothermal properties of 2D materials in device applications
Samantha Klein
Zlatan Aksamija
OriginalPaper 26 September 2023 Pages: 1310 - 1318
Terahertz conductivity of monolayer MoS\(_2\)
S. Mitra
L. Avazpour
I. Knezevic
OriginalPaper 21 March 2023 Pages: 1319 - 1326
Multi-scale simulations of two dimensional material based devices: the NanoTCAD ViDES suite
Damiano Marian
Enrique G. Marin
Gianluca Fiori
OriginalPaper Open access 05 June 2023 Pages: 1327 - 1337
Design considerations for engineering \(\hbox {HfS}_2\) negative capacitance FET through multilayered channel and \(\hbox {Hf}_{1-x}{\hbox {Zr}_{x}}\hbox {O}_2\)/\(\hbox {HfO}_2\) double-gate stacks: an ab initio and NEGF study
Mayuri Sritharan
Hyunjae Lee
Youngki Yoon
OriginalPaper 14 May 2023 Pages: 1338 - 1349
Electronic, transport and ballistic device properties of quasi-one-dimensional GeS
Mislav Matić
Mirko Poljak
OriginalPaper 23 May 2023 Pages: 1350 - 1362
Resistance saturation in semi-conducting polyacetylene molecular wires
Angelo Valli
Jan M. Tomczak
OriginalPaper Open access 15 May 2023 Pages: 1363 - 1376
A deterministic Wigner transport equation solver with infinite correlation length
Kyoung Yeon Kim
OriginalPaper 11 July 2023 Pages: 1377 - 1395
Integral equation method for the 1D steady-state Poisson-Nernst-Planck equations
Zhen Chao
Weihua Geng
Robert Krasny
OriginalPaper Open access 26 September 2023 Pages: 1396 - 1408
Stable two-dimensional Na decorated BeN₄: a potential candidate for hydrogen storage
Shakaib Hussain
Abdul Jalil
Ather Hassan
OriginalPaper 11 July 2023 Pages: 1409 - 1414
Large-signal behavior modeling of GaN HEMTs using SSA augmented ELM algorithm
Shaowei Wang
Jincan Zhang
Liwen Zhang
OriginalPaper 05 July 2023 Pages: 1415 - 1422
Analytical modeling and quasi-static characterization of a lithium niobate (LiNbO₃)-based metal–ferroelectric–metal–insulator–semiconductor (MFMIS) NCFET
N. R. Saritha
J. Charles Pravin
V. N. Ramakrishnan
OriginalPaper 10 July 2023 Pages: 1423 - 1432
Low-frequency noise performance of a molybdenum ditelluride double-gate MOSFET
M. Muthu Manjula
R. Ramesh
OriginalPaper 22 July 2023 Pages: 1433 - 1442
Compact drain current model of a double-gate raised buried oxide TFET for integrated circuit application
Sirisha Meriga
Brinda Bhowmick
OriginalPaper 24 July 2023 Pages: 1443 - 1452
Finite-element simulation of interfacial resistive switching by Schottky barrier height modulation
Sagar Khot
Dongmyung Jung
Yongwoo Kwon
OriginalPaper 18 July 2023 Pages: 1453 - 1462
Single-event effect hardening of the Schottky contact super barrier rectifier (SSBR) with high-k gate dielectric
Aohang Zhang
Wensuo Chen
Jian Li
OriginalPaper 15 August 2023 Pages: 1463 - 1471
Modeling of inversion layer capacitance of III-V double gate MOSFETs using a neural network-based regression technique
Subir Kumar Maity
Soumya Pandit
OriginalPaper 19 August 2023 Pages: 1472 - 1481
Electronic structure and optical and thermoelectric response of lead-free double perovskite BaMgLaBiO₆: a first-principles study
Junaid Munir
Muhammad Jamil
Quratul Ain
OriginalPaper 06 July 2023 Pages: 1482 - 1494
On a method of treating polar-optical phonons in real space
D. K. Ferry
OriginalPaper 19 July 2023 Pages: 1495 - 1499
Research on high sensitivity fano resonance sensing based on MIM waveguide coupled with double Fibonacci spirals
Desheng Qu
Qiaohua Wu
Chunlei Li
OriginalPaper 18 June 2023 Pages: 1500 - 1506
Supercontinuum spectra above 2700 nm in circular lattice photonic crystal fiber infiltrated chloroform with the low peak power
Thuy Nguyen Thi
Lanh Chu Van
OriginalPaper 14 July 2023 Pages: 1507 - 1521
Optical designing and simulation of a concentrating solar spectrum splitting prototype
Elhem Rdhaounia
Mahmoud Ben Amara
Moncef Balghouthi
OriginalPaper 08 July 2023 Pages: 1522 - 1531
Numerical simulation of a mixed-halide perovskite solar cell using doping gradient
Ritu
Gagandeep
Fakir Chand
OriginalPaper 26 July 2023 Pages: 1532 - 1540
Microwave properties of a double wire array
Oleg Rybin
OriginalPaper 05 August 2023 Pages: 1541 - 1548
Transformed mathematical model of square microstrip antennas for non-sinusoidal harmonic response
Deepankar Shri Gyan
K. P. Ray
OriginalPaper 06 September 2023 Pages: 1549 - 1557
3D modeling of feature-scale fluorocarbon plasma etching in silica
Frâncio Rodrigues
Luiz Felipe Aguinsky
Josef Weinbub
OriginalPaper Open access 15 July 2023 Pages: 1558 - 1563
Simulation and dynamical analysis of a chaotic chameleon system designed for an electronic circuit
Kashif Ali Abro
Abdon Atangana
OriginalPaper Open access 10 July 2023 Pages: 1564 - 1575
Comparative study of multi-physics generated small dipoles in conducting media
Sai Zhou
George Pan
OriginalPaper 14 July 2023 Pages: 1576 - 1586
Deep-learning-based neural network for design of a dual-band coupled-line trans-directional coupler
Tarek Sallam
Eman M. Eldesouki
Ahmed M. Attiya
OriginalPaper 14 August 2023 Pages: 1587 - 1593

Volume 22, Issue 5

Special issue on ab initio simulations of electron and phonon transport in nanostructures

Efficient device simulations using density functional theory Hamiltonian and non-equilibrium Green’s function: heterostructure mode space method and core charge approximation

RSDFT-NEGF transport simulations in realistic nanoscale transistors

Full charge incorporation in ab initio simulations of two-dimensional semiconductor-based devices

Recursive Green’s functions optimized for atomistic modelling of large superlattice-based devices

DFTBephy: A DFTB-based approach for electron–phonon coupling calculations

Monte Carlo study of carrier transport in two-dimensional transition metal dichalcogenides: high-field characteristics and MOSFET simulation

Ab-initio simulation of dissipative transport in tunnel devices based on heterostructures of 2D materials

Electronic transport computation in thermoelectric materials: from ab initio scattering rates to nanostructures

Semiclassical electron and phonon transport from first principles: application to layered thermoelectrics

Electrothermal properties of 2D materials in device applications

Terahertz conductivity of monolayer MoS\(_2\)

Multi-scale simulations of two dimensional material based devices: the NanoTCAD ViDES suite

Design considerations for engineering \(\hbox {HfS}_2\) negative capacitance FET through multilayered channel and \(\hbox {Hf}_{1-x}{\hbox {Zr}_{x}}\hbox {O}_2\)/\(\hbox {HfO}_2\) double-gate stacks: an ab initio and NEGF study

Electronic, transport and ballistic device properties of quasi-one-dimensional GeS

Resistance saturation in semi-conducting polyacetylene molecular wires

A deterministic Wigner transport equation solver with infinite correlation length

Integral equation method for the 1D steady-state Poisson-Nernst-Planck equations

Stable two-dimensional Na decorated BeN₄: a potential candidate for hydrogen storage

Large-signal behavior modeling of GaN HEMTs using SSA augmented ELM algorithm

Analytical modeling and quasi-static characterization of a lithium niobate (LiNbO₃)-based metal–ferroelectric–metal–insulator–semiconductor (MFMIS) NCFET

Low-frequency noise performance of a molybdenum ditelluride double-gate MOSFET

Compact drain current model of a double-gate raised buried oxide TFET for integrated circuit application

Finite-element simulation of interfacial resistive switching by Schottky barrier height modulation

Single-event effect hardening of the Schottky contact super barrier rectifier (SSBR) with high-k gate dielectric

Modeling of inversion layer capacitance of III-V double gate MOSFETs using a neural network-based regression technique

Electronic structure and optical and thermoelectric response of lead-free double perovskite BaMgLaBiO₆: a first-principles study

On a method of treating polar-optical phonons in real space

Research on high sensitivity fano resonance sensing based on MIM waveguide coupled with double Fibonacci spirals

Supercontinuum spectra above 2700 nm in circular lattice photonic crystal fiber infiltrated chloroform with the low peak power

Optical designing and simulation of a concentrating solar spectrum splitting prototype

Numerical simulation of a mixed-halide perovskite solar cell using doping gradient

Microwave properties of a double wire array

Transformed mathematical model of square microstrip antennas for non-sinusoidal harmonic response

3D modeling of feature-scale fluorocarbon plasma etching in silica

Simulation and dynamical analysis of a chaotic chameleon system designed for an electronic circuit

Comparative study of multi-physics generated small dipoles in conducting media

Deep-learning-based neural network for design of a dual-band coupled-line trans-directional coupler

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