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where N v is the vacancy concentration, Q v is the energy required for vacancy formation, k B is the Boltzmann constant, T is the absolute temperature, and N is the concentration of atomic sites i.e. = where ρ is density, N A the Avogadro constant, and M the molar mass. It is the simplest point defect.
In condensed matter physics and inorganic chemistry, the cation-anion radius ratio can be used to predict the crystal structure of an ionic compound based on the relative size of its atoms. It is defined as the ratio of the ionic radius of the positively charged cation to the ionic radius of the negatively charged anion in a cation-anion compound.
For typical ionic solids, the cations are smaller than the anions, and each cation is surrounded by coordinated anions which form a polyhedron.The sum of the ionic radii determines the cation-anion distance, while the cation-anion radius ratio + / (or /) determines the coordination number (C.N.) of the cation, as well as the shape of the coordinated polyhedron of anions.
This syntax uses the indices h, k, and ℓ as directional parameters. [4] By definition, the syntax (hkℓ) denotes a plane that intercepts the three points a 1 /h, a 2 /k, and a 3 /ℓ, or some multiple thereof. That is, the Miller indices are proportional to the inverses of the intercepts of the plane with the unit cell (in the basis of the ...
The atomic ratio is a measure of the ratio of atoms of one kind (i) to another kind (j). A closely related concept is the atomic percent (or at.%), which gives the percentage of one kind of atom relative to the total number of atoms. [1] The molecular equivalents of these concepts are the molar fraction, or molar percent.
Just as atomic units are given in terms of the atomic mass unit (approximately the proton mass), the physically appropriate unit of length here is the Bohr radius, which is the radius of a hydrogen atom. The Bohr radius is consequently known as the "atomic unit of length". It is often denoted by a 0 and is approximately 53 pm. Hence, the values ...
Mulliken charges arise from the Mulliken population analysis [1] [2] and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression (QSAR [3]) procedures. [4]
For atomic line radiation, =, where is the Einstein coefficient for spontaneous emission, which is fixed by the intrinsic properties of the relevant atom for the two relevant energy levels. The absorption of atomic line radiation may be described by an absorption coefficient κ {\displaystyle \kappa } with units of 1/length.