As a self-explained book, its very first part introduces mathematical background used for the leaving. This book is mainly about Hartree- Fock (HF) theory, which is the basic of most ab initio methods. Using an ab initio density functional theory (DFT), we concentrate on the internal displacement (u) and Born effective charge (Z*) and show that our model provides a unique non linear dependence of the III-N material properties as a function of strain.ĪB - The elastic and dielectric properties of binary III-N wurtzite semiconductors have been investigated as a function of strain. Ostlund, Mordern Quantum Chemistry: introduction to advanced electronic structure theory, Dover publication, 1996. N2 - The elastic and dielectric properties of binary III-N wurtzite semiconductors have been investigated as a function of strain. A key element of our Industrial Outreach strategy is to seek and promote contact with interested decision makers to understand the strategic needs, habits, and expectations of the industrial sector. N1 - Times Cited: 0 TMCSIII 3rd Workshop on Theory, Modelling and Computational Methods for Semiconductor Materials and Nanostructures (TMCS) JAN 18-20, 2012 Univ Leeds, Sch Elect & Elect Engn, Leeds, ENGLAND Inst Phys (Computat Phys grp & Semiconductor Phys grp) QuantumWise The NOMAD team has already been busy networking and engaging with industry since the project started in November 2015. T1 - Strain dependence of Internal Displacement and Effective Charge in Wurtzite III-N semiconductors