Translation vector

D points = (i , y , rotated -rotation matrix R-, shifted -translation vector... 

Equation (3.85) T is a translation vector that maps each position into an equivalent ition in a neighbouring cell, r is a general positional vector and k is the wavevector ich characterises the wavefunction. k has components k, and ky in two dimensions and quivalent to the parameter k in the one-dimensional system. For the two-dimensional lare lattice the Schrodinger equation can be expressed in terms of separate wavefunctions ng the X- and y-directions. This results in various combinations of the atomic Is orbitals, ne of which are shown in Figure 3.13. These combinations have different energies. The /est-energy solution corresponds to (k =0, ky = 0) and is a straightforward linear... 

The unit cell of the carbon nanotube is shown in Fig. 1 as the rectangle bounded by the vectors Q and T, where T is the ID translation vector of the nanotube. The vector T is normal to C, and extends from... 

Fig. 4. The relation between the fundamental symmetry vector R = p3] -1- qa2 and the two vectors of the tubule unit cell for a carbon nanotube specified by (n,m) which, in turn, determine the chiral vector C, and the translation vector T. The projection of R on the C, and T axes, respectively, yield (or x) and t (see text). After N/d) translations, R reaches a lattice point B". The dashed vertical lines denote normals to the vector C/, at distances of L/d, IL/d, 3L/d,..., L from the origin.

Fig. 3. Translation vectors used to define the symmetry of a carbon nanotube (see text). The vectors a, and 82 define the 2D primitive cell.

In general, we use only the lattice constants to define the solid structure (unless we are attempting to determine its S5nnmetry). We can then define a structure factor known as the translation vector. It is a element related to the unit cell and defines the basic unit of the structure. We will call it T. It is defined according to the following equation ... 

Vector notation is being used here because this is the easiest way to define the unit-cell. The reason for using both unit lattice vectors and translation vectors lies in the fact that we can now specify unit-cell parameters in terms of a, b, and c (which are the intercepts of the translation vectors on the lattice). These cell parameters are very useful since they specify the actual length eind size of the unit cell, usually in A., as we shall see. 

The infinite slab is a monolayer limited by two (010) planes (model 1). It is built with a unit cell M02O6 and two translation vectors in the a and c directions, all the atoms having their usual coordination number as in the bulk. 

Translation (more exactly symmetry-translation). Shift in a specified direction by a specified length. A translation vector corresponds to every translation. For example ... 

Strictly speaking, a symmetry-translation is only possible for an infinitely extended object. An ideal crystal is infinitely large and has translational symmetry in three dimensions. To characterize its translational symmetry, three non-coplanar translation vectors a, b and c are required. A real crystal can be regarded as a finite section of an ideal crystal this is an excellent way to describe the actual conditions. 

As vectors a, b and c we choose the three basis vectors that also serve to define the unit cell (Section 2.2). Any translation vector t in the crystal can be expressed as the vectorial sum of three basis vectors, t = ua + vb + wc, where u, v and w are positive or negative integers. 

Screw rotation. The symmetry element is a screw axis. It can only occur if there is translational symmetry in the direction of the axis. The screw rotation results when a rotation of 360/1V degrees is coupled with a displacement parallel to the axis. The Hermann-Mauguin symbol is NM ( N sub M )-,N expresses the rotational component and the fraction M/N is the displacement component as a fraction of the translation vector. Some screw axes are right or left-handed. Screw axes that can occur in crystals are shown in Fig. 3.4. Single polymer molecules can also have non-crystallographic screw axes, e.g. 103 in polymeric sulfur. 

Translationengleiche subgroups have an unaltered translation lattice, i.e. the translation vectors and therefore the size of the primitive unit cells of group and subgroup coincide. The symmetry reduction in this case is accomplished by the loss of other symmetry operations, for example by the reduction of the multiplicity of symmetry axes. This implies a transition to a different crystal class. The example on the right in Fig. 18.1 shows how a fourfold rotation axis is converted to a twofold rotation axis when four symmetry-equivalent atoms are replaced by two pairs of different atoms the translation vectors are not affected. 

Do not confuse crystal structure and crystal lattice. The crystal structure designates a regular array of atoms, the crystal lattice corresponds to an infinity of translation vectors (Section 2.2). The terms should not be mixed up either. There exists no lattice structure and no diamond lattice , but a diamond structure. 

For the reconstruction of the occupation number density (k) in the repeated zone scheme one uses the reciprocal form factor at lattice translation vectors R, as (k) can be written as [9]... 

Figure 4.1 Schematic dislocation line a simple cubic crystal structure. The line enters the crystal at the center of the left-front face. It emerges at the center of the right-front face. The shortest translation vector of the structure is the Burgers Vector, b. The line bounds the glided area of the glide plane (100) from the unglided area.

Figure 9.3 Cluster of unit cells of the cesium chloride crystal structure. This figure shows that ions of the same sign in this structure line up along the 100 directions. Thus the three rows are orthogonal to one another. Translation of a (100) plane of ions over its nearest (100) neighboring plane keeps ions of opposite sign adjacent to one another. This is also the case on the (110) planes, but the translation vector is V2 larger than for the the (100) planes.

The points on a lattice are defined by three fundamental translation vectors, a, b, and c, such that the atomic arrangement looks the same in every respect when viewed from any point r as it does when viewed at point r ... 

A perspective view of the graphical symbols used in the International Tables (Hahn 2002) for the different axes is shown, (t is the shortest translation vector in the direction of the axes). The projection (along these axes) on the base plane of the equivalent points is also shown notice that the same projection is obtained in all the cases illustrated. The coordinates of all the equivalent points in the different sets are listed. Notice that the x, y, z coordinates are fractional coordinates they indicate the positions along the corresponding directions as fractions of the constants a, b and c (in these examples c = t). 

A more realistic model for the secondary relaxation needs to consider motions of a molecular group (considered as a rigid object) between two levels. The group may contain N atoms with the scattering length h, at positions r (i=lj ). The associated motion may consist of a rotation aroimd an arbitrary axis, e.g. through the centre of mass depicted by a rotational matrix Q and a displacement by a translational vector . In order to evaluate the coherent dynamic structure factor, scattering amphtudes of the initial (1) and final (2) states have to be calculated ... 

High polymer calculations can be performed on polysaccharides. Calculation of unit cell translation vectors (15), heats of polymerization (15), and elastic moduli (16) can readily be done. The accuracy of such calculations is the same as that of equivalent molecular species. A limitation of elastic moduli calculations is that the polymer is assumed to be 100% ordered, a state not commonly found in polysaccharides. 

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