
Phonon Thermal Properties
11 Jul 2011  Contributor(s):: Dragica Vasileska, Gerhard Klimeck
Phonon Thermal Properties are discussed in this set of slides.

Tutorial 2: A BottomUp View of Heat Transfer in Nanomaterials
23 Mar 2011   Contributor(s):: Timothy S Fisher
This lecture provides a theoretical development of the transport of thermal energy by conduction in nanomaterials. The physical nature of energy transport by two carriers—electrons and phononswill be explored from basic principles using a common Landauer framework. Issues including the quantum...

Limits of Thermal Processes and their Implications on Efficient Energy Utilization
27 Oct 2010   Contributor(s):: Arunava Majumdar
About 90 percent of the world’s energy use involves thermal processes – thermal engines to generate mechanical power; heating and cooling in buildings; heating involved in manufacturing of steel, cement, glass, petrochemicals etc. To identify opportunities for improving current technologies or...

Thermoelectric effects in semiconductor nanostructures: Role of electron and lattice properties
06 Oct 2010   Contributor(s):: Abhijeet Paul, Gerhard Klimeck
This presentation covers some aspects of present development in the field of thermoelectricity and focuses particularly on the silicon nanowires as potential thermoelectric materials. The electronic and phonon dispersions are calculated and used for the calculation of thermoelectric properties...

Tutorial 3a: Materials Simulation by FirstPrinciples Density Functional Theory I
14 Sep 2010   Contributor(s):: Umesh V. Waghmare
This lecture provides an introduction to firstprinciples density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and vibrational spectra of nanostructures and extended periodic materials.Outline:Phonons, soft...

DFT calculations with Quantum ESPRESSO
07 Jul 2010   Contributor(s):: Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley
DFT calculations of molecules and solids

Ripples and Warping of Graphene: A Theoretical Study
19 May 2010   Contributor(s):: Umesh V. Waghmare
We use firstprinciples density functional theory based analysis to understand formation of ripples in graphene and related 2D materials. For an infinite graphene, we show that ripples are linked with a low energy branch of phonons that exhibits quadratic dispersion at long wavelengths. Many...

CNT Mobility
26 Apr 2009   Contributor(s):: Yang Zhao, Albert Liao, Eric Pop
Simulate field effect carrier mobility in backgated CNTFET devices at low field

ECE 656 Lecture 25: Phonon Scattering III
13 Nov 2009   Contributor(s):: Mark Lundstrom
Outline:ReviewPOP and IV scatteringScattering in common semiconductorsElectronelectron scatteringSummary

ECE 656 Lecture 24: Phonon Scattering II
13 Nov 2009   Contributor(s):: Mark Lundstrom
Outline:Review Energymomentum conservationMathematical formulationExampleSummary

ECE 656 Lecture 23: Phonon Scattering I
10 Nov 2009   Contributor(s):: Mark Lundstrom
Outline:About phononsElectronphonon couplingEnergymomentum conservationSummary

Scattering in NEGF: Made simple
09 Nov 2009   Contributor(s):: Dmitri Nikonov, Himadri Pal, George Bourianoff
Formalism for describing electronphonon scattering, surface scattering, and spin relaxation is dervied for the Keldysh nonequilibrium Green's functions (NEGF) method. Approximation useful for efficient numerical solution are described. The specific case of the nanoMOS simulator is...

Notes on Scattering and Mobility in 1D, 2D, and 3D
03 Nov 2009   Contributor(s):: Dmitri Nikonov, Md. Sayed Hasan, George Bourianoff
Derivation of the phononlimited mobility is reviewed for electrons in bulk (3D) orquantum confined (2D and 1D) semiconductor structures. Analytical estimates are madethat show the mobility in quantum confined structures is, in general, lower or no higherthan in nonconfined ones.

Illinois ECE 598EP Lecture 8  Hot Chips: Thermal Conductivity of Solids
24 Jun 2009   Contributor(s):: Eric Pop, Omar N Sobh
Thermal Conductivity of SolidsTopics: Kinetic Theory of Energy Transport Simple Kinetic Theory Assumptions Phonon MFP and Scattering Time Silicon Film Thermal Conductivity Silicon Nanowire Thermal Conductivity Isotope Scattering Electron Thermal Conductivity Thermal Conductivity of Cu and Al

Thermoelectric Power Factor Calculator for Superlattices
18 Oct 2008   Contributor(s):: Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using NonEquilibrium Green's Functions

Is dual gate device structure better from a thermal perspective?
01 Sep 2008   Contributor(s):: Dragica Vasileska, Stephen M. Goodnick
This presentation illustrates several points. First, it is shown that in nanoscale devices there is less degradation due to heating effects due to nonstationary nature of the carrier transport (velocity overshoot) in the device, which, in turn, makes less probable the interaction with phonons....

Modeling of Nanoscale Devices
19 Oct 2006   Contributor(s):: M. P. Anantram, Mark Lundstrom, Dmitri Nikonov
We aim to provide engineers with an introductionto the nonequilibriumGreen’s function (NEGF) approach, which is a powerful conceptual tool and a practical analysismethod to treat nanoscale electronic devices with quantum mechanicaland atomistic effects. We first review the basis for the...