
1D Heterostructure Tool
04 Aug 2008   Contributor(s):: Arun Goud Akkala, Sebastian Steiger, Jean Michel D Sellier, Sunhee Lee, Michael Povolotskyi, Tillmann Christoph Kubis, HongHyun Park, Samarth Agarwal, Gerhard Klimeck, James Fonseca, Archana Tankasala, KuangChung Wang, ChinYi Chen, Fan Chen
PoissonSchrödinger Solver for 1D Heterostructures

ABACUS Exercise: Bandstructure – KronigPenney Model and TightBinding Exercise
20 Jul 2010   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
The objective of this exercise is to start with the simple KronigPenney model and understand formations of bands and gaps in the dispersion relation that describes the motion of carriers in 1D periodic potentials. The second exercise examines the behavior of the bands at the Brillouin zone...

ABACUS—Introduction to Semiconductor Devices
When we hear the term semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic component in all of the electronic devices we use in...
http://nanohub.org/wiki/EduSemiconductor

Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms
14 Jan 2008   Contributor(s):: Gerhard Klimeck, Timothy Boykin
The broadening of the conduction and valence band edges due to compositional disorder in alloyed materials of finite extent is studied using an s p3 s ∗ tight binding model. Two sources of broadening due to configuration and concentration disorder are identified. The concentrational disorder...

Band Structure Lab Demonstration: Bulk Strain
03 Jun 2009   Contributor(s):: Gerhard Klimeck
This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.

Bismide Semiconductors: Revolutionising Telecom Lasers
16 Oct 2015   Contributor(s):: Muhammad Usman, Christopher A Broderick, Eoin P O\'reilly
Today’s telecomm lasers are plagued with Augerrelated losses, which significantly reduce their efficiency and make device cooling essential. We are proposing a radical change in the laser technology by developing a new class of materials, bismide semiconductors. These novel nanomaterials...

Carbon nanotube bandstructure
09 Apr 2010   Contributor(s):: Saumitra Raj Mehrotra, Gerhard Klimeck
Carbon nanotubes are allotropes of carbon with a cylindrical nanostructure, and can be categorized into singlewalled nanotubes (SWNT) and multiwalled nanotubes (MWNT). These cylindrical carbon molecules have novel properties that make them potentially useful in many nanotechnology...

CGTB
15 Jun 2006   Contributor(s):: Gang Li, yang xu, Narayan Aluru
Compute the charge density distribution and potential variation inside a MOS structure by using a coarsegrained tight binding model

Computational Nanoscience, Lecture 17: TightBinding, and Moving Towards Density Functional Theory
21 Mar 2008   Contributor(s):: Elif Ertekin, Jeffrey C Grossman
The purpose of this lecture is to illustrate the application of the TightBinding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to mapping from a wavefunction to a densitybased description of atomic systems is provided, and the...

Density Functional Tight Binding (DFTB) Modeling in the Context of UltraThin SilicononInsulator MOSFETs
07 Oct 2015   Contributor(s):: Stanislav Markov
IWCE 2015 presentation. We investigate the applicability of density functional tight binding (DFTB) theory [1][2], coupled to nonequilibrium Green functions (NEGF), for atomistic simulations of ultrascaled electron devices, using the DFTB+ code [3][4]. In the context of ultrathin...

Gerhard Klimeck
ShortGerhard Klimeck is an Electrical and Computer Engineering faculty at Purdue University and leads two research centers in Purdue's Discovery Park. He helped to create nanoHUB.org which now...
http://nanohub.org/members/3482

High Precision Quantum Control of Single Donor Spins in Silicon
14 Jan 2008   Contributor(s):: Rajib Rahman, marta prada, Gerhard Klimeck, Lloyd Hollenberg
The Stark shift of the hyperfine coupling constant is investigated for a P donor in Si far below the ionization regime in the presence of interfaces using tightbinding and band minima basis approaches and compared to the recent precision measurements. In contrast with previous effective...

Lecture 2: Graphene Fundamentals
17 Sep 2009   Contributor(s):: Supriyo Datta

Mahesh R Neupane
Though Mahesh hails from Nepal, he graduated with a Bachelors of Engineering (BE)degree in Computer Science from University of Madras, India, in 2003. In 2005, he received a MS degree in Computer...
http://nanohub.org/members/38579

Nanoelectronic Modeling Lecture 25b: NEMO1D  Hole Bandstructure in Quantum Wells and Hole Transport in RTDs
02 Mar 2010   Contributor(s):: Gerhard Klimeck
Heterostructures such as resonant tunneling diodes, quantum well photodetectors and lasers, and cascade lasers break the symmetry of the crystalline lattice. Such break in lattice symmetry causes a strong interaction of heavy, light and splitoff hole bands. The bandstructure of holes and the...

Nanoelectronic Modeling Lecture 28: Introduction to Quantum Dots and Modeling Needs/Requirements
02 Mar 2010   Contributor(s):: Gerhard Klimeck
This presentation provides a very high level software overview of NEMO1D.Learning Objectives:This lecture provides a very high level overview of quantum dots. The main issues and questions that are addressed are:Length scale of quantum dotsDefinition of a quantum dotQuantum dot examples and...

Nanoelectronic Modeling Lecture 29: Introduction to the NEMO3D Tool
02 Mar 2010   Contributor(s):: Gerhard Klimeck
This presentation provides a very high level software overview of NEMO3D. The items discussed are:Modeling Agenda and MotivationTightBinding Motivation and basic formula expressionsTight binding representation of strainSoftware structureNEMO3D algorithm flow NEMO3D parallelization scheme –...

Nanoelectronic Modeling Lecture 32: Strain Layer Design through Quantum Dot TCAD
07 Jul 2010   Contributor(s):: Gerhard Klimeck, Muhammad Usman
This presentation demonstrates the utilization of NEMO3D to understand complex experimental data of embedded InAs quantum dots that are selectively overgrown with a strain reducing InGaAs layer. Different alloy concentrations of the strain layer tune the optical emission and absorption...

Nanoelectronic Modeling Lecture 40: Performance Limitations of Graphene Nanoribbon Tunneling FETS due to Line Edge Roughness
08 Jul 2010   Contributor(s):: Gerhard Klimeck, Mathieu Luisier
This presentation the effects of line edge roughness on graphene nano ribbon (GNR) transitors..Learning Objectives:GNR TFET Simulation pz TightBinding Orbital Model 3D SchrödingerPoisson Solver Device Simulation Structure Optimization (Doping, Lg, VDD) LER => Localized Band Gap States LER =>...

OMEN Nanowire
02 Sep 2008   Contributor(s):: SungGeun Kim, Mathieu Luisier, Benjamin P Haley, Abhijeet Paul, Saumitra Raj Mehrotra, Gerhard Klimeck, Hesameddin Ilatikhameneh
Fullband 3D quantum transport simulation in nanowire structure