First Principles Investigation Of Electronic Structures And Properties Of Impurities In Molecular Solids And Semiconductors

This book discusses the theory of the electron states of transition metal impurities in semiconductors in connection with the general theory of isoelectronic impurities. It contains brief descriptions of the experimental data available for transition metal impurities belonging to iron, palladium and platinum groups and for rare-earth impurities in elemental semiconductors (III-IV, II-VI and IV-VI compounds) and in several oxide compounds (Ti2, BaTiO3, SrTiO3). Also included are applications of the theory to the optical, electrical and resonance properties of semiconductors doped by the transition metal impurities.The book presents a theory unifying previously proposed ligand-field and band descriptions of transition metal impurities. It describes the theory in the context of the general theory of neutral impurities in semiconductors and demonstrates the capabilities of this description to explain the basic experimental properties of semiconductors doped by transition metal impurities. A detailed discussion of various experimental results and their theoretical interpretation is carried out.This book comprises three parts. The first two parts consider several exactly solvable models and describe numerical techniques. All the models and simulations constitute a general pattern describing transition metal and rare-earth impurities in semiconductors. The final part uses this theory in order to address various experimentally observed properties of these systems.

The purpose of this book is to provide the reader with essential keys to a unified understanding of the rapidly expanding field of molecular materials and devices: electronic structures and bonding, magnetic, electrical and photo-physical properties, and the mastering of electrons in molecular electronics. Chemists will discover how basic quantum concepts allow us to understand the relations between structures, electronic structures, and properties of molecular entities and assemblies, and to design new molecules and materials. Physicists and engineers will realize how the molecular world fits in with their need for systems flexible enough to check theories or provide original solutions to exciting new scientific and technological challenges. The non-specialist will find out how molecules behave in electronics at the most minute, sub-nanosize level. The comprehensive overview provided in this book is unique and will benefit undergraduate and graduate students in chemistry, materials science, and engineering, as well as researchers wanting a simple introduction to the world of molecular materials.

This text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explains how to calculate dielectric, conducting, bonding properties.

Semiconductors are at the heart of modern living. Almost everything we do, be it work, travel, communication, or entertainment, all depend on some feature of semiconductor technology. Comprehensive Semiconductor Science and Technology, Six Volume Set captures the breadth of this important field, and presents it in a single source to the large audience who study, make, and exploit semiconductors. Previous attempts at this achievement have been abbreviated, and have omitted important topics. Written and Edited by a truly international team of experts, this work delivers an objective yet cohesive global review of the semiconductor world. The work is divided into three sections. The first section is concerned with the fundamental physics of semiconductors, showing how the electronic features and the lattice dynamics change drastically when systems vary from bulk to a low-dimensional structure and further to a nanometer size. Throughout this section there is an emphasis on the full understanding of the underlying physics. The second section deals largely with the transformation of the conceptual framework of solid state physics into devices and systems which require the growth of extremely high purity, nearly defect-free bulk and epitaxial materials. The last section is devoted to exploitation of the knowledge described in the previous sections to highlight the spectrum of devices we see all around us. Provides a comprehensive global picture of the semiconductor world Each of the work's three sections presents a complete description of one aspect of the whole Written and Edited by a truly international team of experts