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Quasi-harmonic Approximation
The quasi-harmonic approximation is a phonon-based model of solid-state physics used to describe volume-dependent thermal effects, such as the thermal expansion. It is based on the assumption that the harmonic approximation holds for every value of the lattice constant, which is to be viewed as an adjustable parameter. Overview The quasi-harmonic approximation expands upon the harmonic phonon model of lattice dynamics. The harmonic phonon model states that all interatomic forces are purely harmonic, but such a model is inadequate to explain thermal expansion, as the equilibrium distance between atoms in such a model is independent of temperature. Thus in the quasi-harmonic model, from a phonon point of view, phonon frequencies become volume-dependent in the quasi-harmonic approximation, such that for each volume, the harmonic approximation holds. Thermodynamics For a lattice, the Helmholtz free energy ''F'' in the quasi-harmonic approximation is F(T,V) = E_(V) + U_(T,V) - T S ...
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Phonon
In physics, a phonon is a collective excitation in a periodic, Elasticity (physics), elastic arrangement of atoms or molecules in condensed matter physics, condensed matter, specifically in solids and some liquids. A type of quasiparticle, a phonon is an excited state in the quantum mechanical Quantization (physics), quantization of the mode of vibration, modes of vibrations for elastic structures of interacting particles. Phonons can be thought of as quantized sound waves, similar to photons as quantized light waves. The study of phonons is an important part of condensed matter physics. They play a major role in many of the physical properties of condensed matter systems, such as thermal conductivity and electrical conductivity, as well as in models of neutron scattering and related effects. The concept of phonons was introduced in 1932 by Soviet Union, Soviet physicist Igor Tamm. The name ''phonon'' comes from the Ancient Greek language, Greek word (), which translates to ''so ...
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Solid-state Physics
Solid-state physics is the study of rigid matter, or solids, through methods such as quantum mechanics, crystallography, electromagnetism, and metallurgy. It is the largest branch of condensed matter physics. Solid-state physics studies how the large-scale properties of solid materials result from their atomic-scale properties. Thus, solid-state physics forms a theoretical basis of materials science. It also has direct applications, for example in the technology of transistors and semiconductors. Background Solid materials are formed from densely packed atoms, which interact intensely. These interactions produce the mechanical (e.g. hardness and Elasticity (physics), elasticity), Heat conduction, thermal, Electrical conduction, electrical, Magnetism, magnetic and Crystal optics, optical properties of solids. Depending on the material involved and the conditions in which it was formed, the atoms may be arranged in a regular, geometric pattern (crystal, crystalline solids, ...
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Thermal Expansion
Thermal expansion is the tendency of matter to change its shape, area, volume, and density in response to a change in temperature, usually not including phase transitions. Temperature is a monotonic function of the average molecular kinetic energy of a substance. When a substance is heated, molecules begin to vibrate and move more, usually creating more distance between themselves. Substances which contract with increasing temperature are unusual, and only occur within limited temperature ranges (see examples below). The relative expansion (also called strain) divided by the change in temperature is called the material's coefficient of linear thermal expansion and generally varies with temperature. As energy in particles increases, they start moving faster and faster weakening the intermolecular forces between them, therefore expanding the substance. Overview Predicting expansion If an equation of state is available, it can be used to predict the values of the thermal expan ...
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Phonon
In physics, a phonon is a collective excitation in a periodic, Elasticity (physics), elastic arrangement of atoms or molecules in condensed matter physics, condensed matter, specifically in solids and some liquids. A type of quasiparticle, a phonon is an excited state in the quantum mechanical Quantization (physics), quantization of the mode of vibration, modes of vibrations for elastic structures of interacting particles. Phonons can be thought of as quantized sound waves, similar to photons as quantized light waves. The study of phonons is an important part of condensed matter physics. They play a major role in many of the physical properties of condensed matter systems, such as thermal conductivity and electrical conductivity, as well as in models of neutron scattering and related effects. The concept of phonons was introduced in 1932 by Soviet Union, Soviet physicist Igor Tamm. The name ''phonon'' comes from the Ancient Greek language, Greek word (), which translates to ''so ...
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Lattice Constant
A lattice constant or lattice parameter is one of the physical dimensions and angles that determine the geometry of the unit cells in a crystal lattice, and is proportional to the distance between atoms in the crystal. A simple cubic crystal has only one lattice constant, the distance between atoms, but in general lattices in three dimensions have six lattice constants: the lengths ''a'', ''b'', and ''c'' of the three cell edges meeting at a vertex, and the angles ''α'', ''β'', and ''γ'' between those edges. The crystal lattice parameters ''a'', ''b'', and ''c'' have the dimension of length. The three numbers represent the size of the unit cell, that is, the distance from a given atom to an identical atom in the same position and orientation in a neighboring cell (except for very simple crystal structures, this will not necessarily be disance to the nearest neighbor). Their SI unit is the meter, and they are traditionally specified in angstroms (Å); an angstrom being 0.1 nanome ...
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Harmonic Oscillator
In classical mechanics, a harmonic oscillator is a system that, when displaced from its Mechanical equilibrium, equilibrium position, experiences a restoring force ''F'' Proportionality (mathematics), proportional to the displacement ''x'': \vec F = -k \vec x, where ''k'' is a positive coefficient, constant. If ''F'' is the only force acting on the system, the system is called a simple harmonic oscillator, and it undergoes simple harmonic motion: sinusoidal oscillations about the equilibrium point, with a constant amplitude and a constant frequency (which does not depend on the amplitude). If a frictional force (Damping ratio, damping) proportional to the velocity is also present, the harmonic oscillator is described as a damped oscillator. Depending on the friction coefficient, the system can: * Oscillate with a frequency lower than in the Damping ratio, undamped case, and an amplitude decreasing with time (Damping ratio, underdamped oscillator). * Decay to the equilibrium p ...
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Lattice Energy
In chemistry, the lattice energy is the energy change upon formation of one mole of a crystalline ionic compound from its constituent ions, which are assumed to initially be in the gaseous state. It is a measure of the cohesive forces that bind ionic solids. The size of the lattice energy is connected to many other physical properties including solubility, hardness, and volatility. Since it generally cannot be measured directly, the lattice energy is usually deduced from experimental data via the Born–Haber cycle. Lattice energy and lattice enthalpy The concept of lattice energy was originally applied to the formation of compounds with structures like rocksalt (NaCl) and sphalerite (ZnS), where the ions occupy high-symmetry crystal lattice sites. In the case of NaCl, lattice energy is the energy change of the reaction : Na+ (g) + Cl− (g) → NaCl (s) which amounts to −786 kJ/mol. Some chemistry textbooks as well as the widely used CRC Handbook of Chemistry and P ...
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Entropy
Entropy is a scientific concept, as well as a measurable physical property, that is most commonly associated with a state of disorder, randomness, or uncertainty. The term and the concept are used in diverse fields, from classical thermodynamics, where it was first recognized, to the microscopic description of nature in statistical physics, and to the principles of information theory. It has found far-ranging applications in chemistry and physics, in biological systems and their relation to life, in cosmology, economics, sociology, weather science, climate change, and information systems including the transmission of information in telecommunication. The thermodynamic concept was referred to by Scottish scientist and engineer William Rankine in 1850 with the names ''thermodynamic function'' and ''heat-potential''. In 1865, German physicist Rudolf Clausius, one of the leading founders of the field of thermodynamics, defined it as the quotient of an infinitesimal amount of hea ...
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Planck Constant
The Planck constant, or Planck's constant, is a fundamental physical constant of foundational importance in quantum mechanics. The constant gives the relationship between the energy of a photon and its frequency, and by the mass-energy equivalence, the relationship between mass and frequency. Specifically, a photon's energy is equal to its frequency multiplied by the Planck constant. The constant is generally denoted by h. The reduced Planck constant, or Dirac constant, equal to the constant divided by 2 \pi, is denoted by \hbar. In metrology it is used, together with other constants, to define the kilogram, the SI unit of mass. The SI units are defined in such a way that, when the Planck constant is expressed in SI units, it has the exact value The constant was first postulated by Max Planck in 1900 as part of a solution to the ultraviolet catastrophe. At the end of the 19th century, accurate measurements of the spectrum of black body radiation existed, but the distribut ...
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Boltzmann Constant
The Boltzmann constant ( or ) is the proportionality factor that relates the average relative kinetic energy of particles in a gas with the thermodynamic temperature of the gas. It occurs in the definitions of the kelvin and the gas constant, and in Planck's law of black-body radiation and Boltzmann's entropy formula, and is used in calculating thermal noise in resistors. The Boltzmann constant has dimensions of energy divided by temperature, the same as entropy. It is named after the Austrian scientist Ludwig Boltzmann. As part of the 2019 redefinition of SI base units, the Boltzmann constant is one of the seven " defining constants" that have been given exact definitions. They are used in various combinations to define the seven SI base units. The Boltzmann constant is defined to be exactly . Roles of the Boltzmann constant Macroscopically, the ideal gas law states that, for an ideal gas, the product of pressure and volume is proportional to the product of amount of ...
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Zero-point Energy
Zero-point energy (ZPE) is the lowest possible energy that a quantum mechanical system may have. Unlike in classical mechanics, quantum systems constantly Quantum fluctuation, fluctuate in their lowest energy state as described by the Heisenberg uncertainty principle. Therefore, even at absolute zero, atoms and molecules retain some vibrational motion. Apart from atoms and molecules, the empty space of Vacuum state, the vacuum also has these properties. According to quantum field theory, the universe can be thought of not as isolated particles but continuous fluctuating Field (physics), fields: matter fields, whose Quantum, quanta are fermions (i.e., leptons and quarks), and Force field (physics), force fields, whose quanta are bosons (e.g., photons and gluons). All these fields have zero-point energy. These fluctuating zero-point fields lead to a kind of reintroduction of an Luminiferous aether, aether in physics since some systems can detect the existence of this energy. ...
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Dispersion Relation
In the physical sciences and electrical engineering, dispersion relations describe the effect of dispersion on the properties of waves in a medium. A dispersion relation relates the wavelength or wavenumber of a wave to its frequency. Given the dispersion relation, one can calculate the phase velocity and group velocity of waves in the medium, as a function of frequency. In addition to the geometry-dependent and material-dependent dispersion relations, the overarching Kramers–Kronig relations describe the frequency dependence of wave propagation and attenuation. Dispersion may be caused either by geometric boundary conditions (waveguides, shallow water) or by interaction of the waves with the transmitting medium. Elementary particles, considered as matter waves, have a nontrivial dispersion relation even in the absence of geometric constraints and other media. In the presence of dispersion, wave velocity is no longer uniquely defined, giving rise to the distinction of phase ...
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