{"product_id":"elasticity-lattice-dynamics-and-parameterisation-techniques-for-the-tersoff-potential-applied-to-elemental-and-type-iii-v-semiconductors","title":"Elasticity, Lattice Dynamics and Parameterisation Techniques for the Tersoff Potential Applied to Elemental and Type III-V Semiconductors","description":"\u003cp\u003eThis thesis details the techniques used in constructing a library of improved parameters for the Tersoff bond-order potential energy model which is used in atomistic modelling applications. The parameters presented here are for the elemental type-IV diamond structure semiconductors and the binary III-As, III-P, III-Sb and the cubic III-N compound semiconductors. The parameters are fitted to a number of experimental and DFT predicted properties of the materials including the lattice parameter, the cohesive energy, the elastic constants and the lattice dynamical properties, including phonon frequency and mode-Gruneisen parameters, for three pertinent locations in the Brillouin zone.\u003c\/p\u003e","brand":"David Powell","offers":[{"title":"Paperback","offer_id":44310321791137,"sku":"9781446134610","price":27.8,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0462\/1120\/3233\/files\/1yzgzr6-front-shortedge-384.jpg?v=1748299748","url":"https:\/\/bookswholesale.myshopify.com\/products\/elasticity-lattice-dynamics-and-parameterisation-techniques-for-the-tersoff-potential-applied-to-elemental-and-type-iii-v-semiconductors","provider":"BooksWholesale","version":"1.0","type":"link"}