The Electronic Structures of Solids
Every Friday, Physical Review Letters sends me an email with the contents of its latest issue. This would help scientists find better materials for batteries, solar cells, and many other applications. The new work builds on a computational tool called density-functional theory DFT , one of the great success stories of physics. Founded by Walter Kohn and co-workers in [ 2 ], DFT is the workhorse for calculating the electronic structure of all matter under everyday conditions. The properties of a molecule or solid, such as its bond lengths, binding energy, phonon spectrum, or lattice structure, are determined by its electronic structure.
It seems that you're in Germany. We have a dedicated site for Germany. This book displays the latest developments in the determinatioin of the electronic structure of solids and the physical properties which can be described from the electronic structure. Special emphasis is placed on the Linear Muffin Tin Orbital method for ground state and excited state calculation. The state-of-the-art of the formalisms is presented, from the venerable Atomic Sphere Approximation to the Full Potential schemes.
Doing Solids: Crash Course Chemistry #33
Not a MyNAP member yet? Register for a free account to start saving and receiving special member only perks. Below is the uncorrected machine-read text of this chapter, intended to provide our own search engines and external engines with highly rich, chapter-representative searchable text of each book. It might be described as the electronic quantum many-body problem and is concerned with the ways in which the effects of the Pauli exclusion principle and the Coulomb interactions between electrons conspire to produce the remarkable varieties of matter. During the last decade, concerted efforts were made to determine the most efficient means of incorporat- ing the effects of exchange and correlation into the basic description of solids and liquids, with the result that significant advances have occurred in our understanding of the electronic structure of large systems with perfect order, with various types of defects, and with disorder, including both liquid and amorphous states. This period has also seen great strides in our understanding of the surfaces of condensed matter and the properties of interfaces. In addition, our attention has turned to systems of unusual chemical character, quasi-one- or two-dimensional solids, for example, with physical properties often remarkably different from those of the higher symmetry three-dimensional systems that have so influenced the development of condensed-matter physics.