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Korringa–Kohn–Rostoker Method
The Korringa–Kohn–Rostoker (KKR) method is used to calculate the electronic band structure of periodic solids. In the derivation of the method using multiple scattering theory by Jan Korringa and the derivation based on the Kohn and Rostoker variational method, the muffin-tin approximation was used. Later calculations are done with full potentials having no shape restrictions. Introduction All solids in their ideal state are single crystals with the atoms arranged on a periodic lattice. In condensed matter physics, the properties of such solids are explained on the basis of their electronic structure. This requires the solution of a complicated many-electron problem, but the density functional theory of Walter Kohn makes it possible to reduce it to the solution of a Schroedinger equation with a one-electron periodic potential. The problem is further simplified with the use of group theory and in particular Bloch's theorem, which leads to the result that the energy eigen ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electronic Band Structure
In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called ''band gaps'' or ''forbidden bands''). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules. Band theory has been successfully used to explain many physical properties of solids, such as electrical resistivity and optical absorption, and forms the foundation of the understanding of all solid-state devices (transistors, solar cells, etc.). Why bands and band gaps occur The electrons of a single, isolated atom occupy atomic orbitals each of which has a discrete energy level. When two or more atoms join together to form a molecule, their atomic orbitals overlap and hybridize. Similarly, if a large number ''N'' of identical atoms come ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
IOP Expanding Physics
IOP may refer to: Organizations * Institute of Optronics, a Pakistani technical organization * Institute of Physics, London-based professional association for physicists ** IOP Publishing, its publishing company * Institute of Physics, Bhubaneswar, an Indian research institute * Institute of Psychiatry, Psychology and Neuroscience, a school of King's College London, England, previously known as Institute of Psychiatry (IoP) *Institute of Play, an American educational corporation Science and technology * UGV Interoperability Profile * Cromemco IOP, an input/output processor S-100 card * Intraocular pressure, the fluid pressure inside the eye * Intensive outpatient program, a rehabilitation therapy Other uses * Isle of Palms, South Carolina, US * IOP, IOC country code for Independent Olympic Participant * Italian occult psychedelia, a subgenre of Italian psychedelic music See also * * Institute of Physics (other) * Institute of Politics (other) * IOPS Input/ou ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
GitHub
GitHub, Inc. () is an Internet hosting service for software development and version control using Git. It provides the distributed version control of Git plus access control, bug tracking, software feature requests, task management, continuous integration, and wikis for every project. Headquartered in California, it has been a subsidiary of Microsoft since 2018. It is commonly used to host open source software development projects. As of June 2022, GitHub reported having over 83 million developers and more than 200 million repositories, including at least 28 million public repositories. It is the largest source code host . History GitHub.com Development of the GitHub.com platform began on October 19, 2007. The site was launched in April 2008 by Tom Preston-Werner, Chris Wanstrath, P. J. Hyett and Scott Chacon after it had been made available for a few months prior as a beta release. GitHub has an annual keynote called GitHub Universe. Organizational ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Band Theory
In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called ''band gaps'' or ''forbidden bands''). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules. Band theory has been successfully used to explain many physical properties of solids, such as electrical resistivity and optical absorption, and forms the foundation of the understanding of all solid-state devices (transistors, solar cells, etc.). Why bands and band gaps occur The electrons of a single, isolated atom occupy atomic orbitals each of which has a discrete energy level. When two or more atoms join together to form a molecule, their atomic orbitals overlap and hybridize. Similarly, if a large number ''N'' of identical atoms come ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bloch Wave
In condensed matter physics, Bloch's theorem states that solutions to the Schrödinger equation in a periodic potential take the form of a plane wave modulated by a periodic function. The theorem is named after the physicist Felix Bloch, who discovered the theorem in 1929. Mathematically, they are written where \mathbf is position, \psi is the wave function, u is a periodic function with the same periodicity as the crystal, the wave vector \mathbf is the crystal momentum vector, e is Euler's number, and i is the imaginary unit. Functions of this form are known as Bloch functions or Bloch states, and serve as a suitable basis for the wave functions or states of electrons in crystalline solids. Named after Swiss physicist Felix Bloch, the description of electrons in terms of Bloch functions, termed Bloch electrons (or less often ''Bloch Waves''), underlies the concept of electronic band structures. These eigenstates are written with subscripts as \psi_, where n is a discret ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Group Theory
In abstract algebra, group theory studies the algebraic structures known as group (mathematics), groups. The concept of a group is central to abstract algebra: other well-known algebraic structures, such as ring (mathematics), rings, field (mathematics), fields, and vector spaces, can all be seen as groups endowed with additional operation (mathematics), operations and axioms. Groups recur throughout mathematics, and the methods of group theory have influenced many parts of algebra. Linear algebraic groups and Lie groups are two branches of group theory that have experienced advances and have become subject areas in their own right. Various physical systems, such as crystals and the hydrogen atom, and Standard Model, three of the four known fundamental forces in the universe, may be modelled by symmetry groups. Thus group theory and the closely related representation theory have many important applications in physics, chemistry, and materials science. Group theory is also ce ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Density Functional Theory
Density-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density. DFT is among the most popular and versatile methods available in condensed-matter physics, computational physics, and computational chemistry. DFT has been very popular for calculations in solid-state physics since the 1970s. However, DFT was not considered accurate enough for calculations in quantum chemistry until the 1990s, when the approximations used in the theory were greatly refined to better model the exchange and correlation interactions ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electronic Structure
In quantum chemistry, electronic structure is the state of motion of electrons in an electrostatic field created by stationary nuclei. The term encompasses both the wave functions of the electrons and the energies associated with them. Electronic structure is obtained by solving quantum mechanical equations for the aforementioned clamped-nuclei problem. Electronic structure problems arise from the Born–Oppenheimer approximation. Along with nuclear dynamics, the electronic structure problem is one of the two steps in studying the quantum mechanical motion of a molecular system. Except for a small number of simple problems such as hydrogen-like atoms, the solution of electronic structure problems require modern computers. Electronic structure problem is routinely solved with quantum chemistry computer programs. Electronic structure calculations rank among the most computationally intensive tasks in all scientific calculations. For this reason, quantum chemistry calculatio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Springer Publishing
Springer Publishing Company is an American publishing company of academic journals and books, focusing on the fields of nursing, gerontology, psychology, social work, counseling, public health, and rehabilitation (neuropsychology). It was established in 1951 by Bernhard Springer, a great-grandson of Julius Springer, and is based in Midtown Manhattan, New York City. History Springer Publishing Company was founded in 1950 by Bernhard Springer, the Berlin-born great-grandson of Julius Springer, who founded Springer-Verlag (now Springer Science+Business Media). Springer Publishing's first landmark publications included ''Livestock Health Encyclopedia'' by R. Seiden and the 1952 ''Handbook of Cardiology for Nurses''. The company's books soon branched into other fields, including medicine and psychology. Nursing publications grew rapidly in number, as Modell's ''Drugs in Current Use'', a small annual paperback, sold over 150,000 copies over several editions. Solomon Garb's ''Labor ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Solid
Solid is one of the State of matter#Four fundamental states, four fundamental states of matter (the others being liquid, gas, and Plasma (physics), plasma). The molecules in a solid are closely packed together and contain the least amount of kinetic energy. A solid is characterized by structural rigidity and resistance to a force applied to the surface. Unlike a liquid, a solid object does not flow to take on the shape of its container, nor does it expand to fill the entire available volume like a gas. The atoms in a solid are bound to each other, either in a regular geometric lattice (crystal, crystalline solids, which include metals and ordinary ice), or irregularly (an amorphous solid such as common window glass). Solids cannot be compressed with little pressure whereas gases can be compressed with little pressure because the molecules in a gas are loosely packed. The branch of physics that deals with solids is called solid-state physics, and is the main branch of condens ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Muffin-tin Approximation
The muffin-tin approximation is a shape approximation of the potential well in a crystal lattice. It is most commonly employed in quantum mechanical simulations of the electronic band structure in solids. The approximation was proposed by John C. Slater. Augmented plane wave method (APW) is a method which uses muffin-tin approximation. It is a method to approximate the energy states of an electron in a crystal lattice. The basic approximation lies in the potential in which the potential is assumed to be spherically symmetric in the muffin-tin region and constant in the interstitial region. Wave functions (the augmented plane waves) are constructed by matching solutions of the Schrödinger equation within each sphere with plane-wave solutions in the interstitial region, and linear combinations of these wave functions are then determined by the variational method. Many modern electronic structure methods employ the approximation. Among them APW method, the linear muffin-tin orbit ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Norman Rostoker
Norman Rostoker (August 16, 1925 – December 25, 2014) was a Canadian plasma physicist known for being a pioneer in developing clean plasma-based fusion energy. He co-founded TAE Technologies (formerly known as Tri Alpha Energy) in 1998 and held 27 U.S. Patents on plasma-based fusion accelerators. The Korringa–Kohn–Rostoker method, a theory in solid-state physics, is named after him. Early life and career Rostoker studied at the University of Toronto, where he received his master's degree in physics in 1947, and received his doctorate in 1950 at the Carnegie Institute of Technology, where he did research from 1948. From 1953 to 1956, he was at the Armor Research Foundation and from 1956 to 1967 at General Atomics in San Diego, from 1965 as manager for fusion and plasma physics projects. He was also a professor at the University of California, San Diego from 1962 to 1965. From 1967, he was an IBM Professor of Engineering at Cornell University, where he headed the Facu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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