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Symmetry and the physical properties of crystals
Transformation of axes Vectors and tensors Neumann’s, Voigt’s and Curie’s principles Symmetry constraints Examples
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Transformation of axes
transformation matrix α Einstein summation convention
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Vectors and tensors anisotrophy – general attribute of crystals – dependence on direction properties of materials: link between an independent variable – “stimulus” (vplyvy) and a dependent variable – “response” (odozvy) the variables and the proportionality factors that relate them can be tensors of various rank
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Vectors and tensors temperature T – scalar – zero-rank tensor
intensity of electric field E, current density i – vectors – tensors of rank one pyroelectric coefficient pi P – polarization vector p – vector – tensor of rank one electrical conductivity s can be described by one ”number”? in general form s = sij – 9 = 32 components (6 independent) – second-rank tensor
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Transformation of tensors
axes vectors For transformation of a vector the same matrix has to be used as for the axes for a second-rank tensor in the frame of the new axes x’ therefore
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Transformation of tensors
in extended form for third-rank tensor
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Stress tensor – tenzor napätia
Force per unit area [Pa] mechanical equilibrium – normal components Stress tensor is symmetric – shear components
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according to definition
Strain tensor – tenzor malých deformácií l0 xi l0 + Δl extension per unit length Strain tensor is symmetric according to definition γ x1 x2
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Voigt notation introduced for symmetric second-rank tensors
– simplification for stress indices 11 → 1 22 → 2 33 → 3 23 → 4 13 → 5 12 → 6 for strain
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Higher-rank tensors In general, the relationship between a quantity represented by an m-rank tensor and a quantity represented by an n-rank tensor involves a tensor of rank m+n with 3m+n components. Piezoelectricity Stress applied to certain crystals may develop an electric moment whose magnitude is proportional to the applied stress d is the piezoelectric modulus – third-rank tensor σ is the stress tensor
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Hook’s law general form S – compliance tensor – tenzor poddajnosti
C – stiffness tensor – tenzor tuhosti S and C – 4th-rank tensors written in Voigt notation
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Effect of symmetry pyroelectricity electrical conductivity
thermal conductivity permeability permittivity piezoelectricity elasticity material tensors are reduced due to the crystal symmetry
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Effect of symmetry Important questions should be answered
before starting the experiment How many values of some physical parameter should be measured? Which crystal directions give the simplest measurements? Which directions should give duplicate results? the knowledge of symmetry (point group) and Neumann’s and Voigt’s principles can help to answer these questions
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Neumann’s principle where K denotes the symmetry group of the crystal, GT is the symmetry group of the tensor representing the physical property. The symmetry elements of any physical property of a crystal must include all the symmetry elements of the point group of the crystal, The point group K of the crystal must be a subgroup of the symmetry group GT of tensor of the physical property. The magnitude of a particular physical property measured along a specific direction is unchanged when the material is rotated, reflected or inverted into a new orientation corresponding to one of the symmetry elements of its point group.
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Voigt’s principle According to Neumann's principle the tensor representing any physical property should be invariant with regard to every symmetry operation of the given crystal class. The condition of invariance reduces the number of the independent tensor components, since it signifies relationships between the tensor components.
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Application of Neumann’s principle
property described by a second-rank tensor monoclinic crystal with point symmetry group symmetry elements corresponding matrices
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Application of Neumann’s principle
final form
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Application of Neumann’s principle
property described by a second-rank tensor tetragonal crystal with point symmetry group x1 x2 x3
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Application of Neumann’s principle
final form if s is symmetrical
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Important remarks Tensors have the simplest form if the coordinate axes are chosen in the directions of the crystal axes with highest symmetry All second-rank symmetrical tensors can be diagonalized by an appropriate choice of coordinate axes Property T in a given direction n direction cosines of n for symmetrical tensors
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Curie’s principle When certain causes produce certain effects, the symmetry elements of the causes must be found in their effects. The symmetry of the crystal subject to an external influence preserves only the symmetry elements that are common to both the crystal and the perturbing influence. P is the symmetry group of the perturbed crystal, K and G are the symmetry groups of the crystal and of the external influence, respectively.
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Curie’s principle symmetry of symmetry of crystal
symmetry of influence symmetry of disturbed crystal symmetry of crystal uniaxial compression σ electric field E(0, 0, E) mmm mm2
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Examples Pyroelectricity
the effect cannot exist in a crystal possessing a centre of symmetry if the crystal possess a unique direction, the polarization vector P lies always along this direction can be present only in crystals with symmetry described by one of ten polar point groups 1, 2, 3, 4, 6, m, mm2, 3m, 4mm and 6mm Tourmaline, trigonal crystal, symmetry group 3m Temperature change 1° C produces a polarization 4 x 10-6 C/m2 K that is equivalent to the intensity 740 V/cm
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Examples Piezoelectricity of quartz – point group 32 x3 x2 x1
has no effect is always zero
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Examples stiffness tensor for hexagonal crystals
stiffness tensor for cubic crystals axes parallel to
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