Tags: bulk

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  1. Band Structure Lab: First-Time User Guide

    15 Jun 2009 | Teaching Materials | Contributor(s): Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck

    This document provides useful information about Band Structure Lab. First-time users will find basic ideas about the physics behind the tool such as band formation, the Hamiltonian description,...


  2. ECE 695A Lecture 6: Defects in the Bulk and at Interfaces

    01 Feb 2013 | Online Presentations | Contributor(s): Muhammad Alam

    Outline: Strain in materials/origin of defects Examples: bulk defects Examples: interface defects Measurements Conclusions


  3. IMA 2013 UQ: DFT-based Thermal Properties: Three Levels of Error Management

    02 Apr 2014 | Online Presentations | Contributor(s): Kurt Lejaeghere

    It is often computationally expensive to predict finite-temperature properties of a crystal from density-functional theory (DFT). The temperature-dependent thermal expansion coefficient α, for...