Impact of Molecular Dynamics Simulations on Research and Development of Semiconductor Materials

摘要: Atomic scale defects critically limit performance of semiconductor materials. To improve materials, defect effects and formation mechanisms must be understood. In this paper, we demonstrate multiple examples where molecular dynamics simulations have effectively addressed these issues that were not well in prior experiments. the first case, report our recent progress on modelling graphene growth, found are created around periphery islands throughout just regions impinge as believed previously. second TlBr, discovered under an electric field, edge dislocations TlBr migrate both slip climb directions. The motion ejects extensive vacancies can cause rapid aging material seen third growth InGaN films (0001) surfaces suffers from a serious polymorphism problem creates enormous amounts defects. Growth (1120) surfaces, other hand, results single crystalline wurtzite without any fourth used to derive dislocation energies do possess noticeable statistical errors, then error-free methods discover possible misuse misfit theory past thin film studies. Finally, highlight significance reducing design space nanostructures.