1.7 Symmetry and every tensor
L1 Neumann's principle
A crystal property can have no less symmetry than the crystal. This is Neumann's principle, stated in 1833 P. For LiNbO3 (point group 3m) it means every response must look the same after a 120° turn about c and after reflection in any of the three mirror planes. Most conceivable coefficients fail that test and are exactly zero; the survivors are tied together in fixed ratios.
Consequences you can see: the crystal has one optic axis, along c, so light travelling along c sees one index whatever its polarization; along any other direction it splits in two (02 Light). Heating or cooling puts charge only on the c faces. Compression along any axis never charges the x faces, which are perpendicular to a mirror plane P.
d16 = −2d22 d21 = −d22 d24 = d15 d32 = d31 zero: d11 d12 d13 d14 d23 d25 d26 d34 d35 d36
ΔB1 = 0 ΔB2 = 0 ΔB3 = 0 ΔB4 = 0 ΔB5 = 0 ΔB6 = 0
All operations off: every component independent. C3 on: most vanish, survivors pair up. Add one mirror: d keeps d15, d22, d31, d33. Then E along y: one mirror survives, the group reads m. Closure adds what the chosen elements imply (two mirrors give C3; C3 and one mirror give all three mirrors), drawn dashed. Under a field the matrix shows what crystal plus field allow; magnitudes are not computed. derived derived
d16 = −2d22 d21 = −d22 d24 = d15 d32 = d31 zero: d11 d12 d13 d14 d23 d25 d26 d34 d35 d36
ΔB1 = 0 ΔB2 = 0 ΔB3 = 0 ΔB4 = 0 ΔB5 = 0 ΔB6 = 0
Switch every operation off: all components light. Turn on the threefold axis: most go dark and the survivors pair up. Add one mirror: d keeps d15, d22, d31, d33. Then put the field along y: one mirror line survives and the group reads m. Filled: independent; outlined with a link to its partner: tied; dot: zero; small dashed: transpose; gold: allowed only under the field. Elements implied by closure are drawn dashed. The lobes repeat once per element of the group. derived derived
L2 Axes and allowed forms
Axes for tensors follow IRE 1949 / IEEE 176-1987, as used by Weis and Gaylord and by Volk and Wöhlecke.
| Axis | Rule | Status |
|---|---|---|
| z | parallel to c, the threefold axis | P |
| x | along one of the equivalent a axes, perpendicular to a mirror plane; non-polar | P P |
| y | completes a right-handed set; lies in a mirror plane | P |
| +z sense | the c face that becomes negative on compression; equivalently positive on cooling; third test: cleavage terracing | P P-comp |
| +y sense | the y face that becomes negative on compression | P |
| IEEE 176-1987 | +Z gives positive d33, +Y positive d22 | P |
Which face is +z
||
====####====
. . . . . . . . . A
+------------------+
| ^ |
| | Ps |
| | |
+------------------+
. . . . . . . . . B
====####====
|| +z: the c face that becomes negative on compression P; +Z gives positive d33 P
T steady dT = 0 . . . . . . . . . A +------------------+ | ^ | | | Ps | | | | +------------------+ . . . . . . . . . B [======================] | n p n p n p n p n p | [======================]
+z: the c face that becomes positive on cooling; p3 < 0 P
|~~~~~~~~~~~~~~~~~~~~~~| | | | | | +----------------+ | A | | ^ | | | | | Ps | | | | | | | | +----------------+ | B | | | | +----------------------+
The −c end of a domain etches much faster than the +c end P-comp
Compress along c
The +z face is the c face that turns negative on compression P; +Z gives positive d33 P
Cool on a Peltier stage
The +z face turns positive on cooling, since p3 < 0 P
Etch
The −c end etches much faster than the +c end P-comp
Squeeze, then cool, the same plate: face A turns negative, then positive, and both tests name A as +z. Compression pushes the cations toward their centred positions; cooling pulls them further out P. Turn the plate over and the charges follow the arrow. Signs only. derived
Forms allowed in point group 3m
Voigt contraction 11→1, 22→2, 33→3, 23→4, 13→5, 12→6.
| Property | Rank | Non-zero pattern | Independent | Computed | Status |
|---|---|---|---|---|---|
| Pyroelectric p | 1 | (0, 0, p3) | 1 | 1 / 3 | P derived |
| Permittivity | 2 | diag(ε11, ε11, ε33) | 2 | 2 / 6 | P derived |
| Any other symmetric rank-2 property (impermeability, thermal expansion, thermal conductivity) | 2 | diag(t11, t11, t33) | 2 | 2 / 6 | derived |
| Piezoelectric d (3 × 6) | 3 | d15 = d24, d16 = −2d22, d21 = −d22, d31 = d32, d33 | 4 | 4 / 18 | P derived |
| Linear electro-optic r (6 × 3) | 3 | r13 = r23, r33, r22 = −r12 = −r61, r42 = r51 | 4 | 4 / 18 | P derived |
| Elastic stiffness c (6 × 6) | 4 | c11, c12, c13, c14, c33, c44; c24 = −c14, c56 = c14, c66 = (c11 − c12)/2 | 6 | 6 / 21 | P derived |
| Elastic compliance s (6 × 6) | 4 | as c, but s56 = 2s14, s66 = 2(s11 − s12) | 6 | 6 / 21 | P derived |
| Photoelastic p (6 × 6) | 4 | p11, p12, p13, p14, p31, p33, p41, p44; p42 = −p41, p24 = −p14, p56 = p41, p65 = p14, p66 = (p11 − p12)/2 | 8 | 8 / 36 | P derived |
The factors 2 in d16, s56, s66 come from the contraction (engineering shear strain), not from the crystal P derived. Neumann's principle must be applied to the full tensor, then contracted P.
| Example of the result | Value | Status |
|---|---|---|
| Optic axis | c; negative uniaxial: no = 2.2866, ne = 2.2028 at 632.8 nm, 24.5 °C, congruent | P-comp |
| Signs fixed by the axis rules | d22 > 0 and d33 > 0 | P |
L3 Signs and broken symmetry
Why x is not polar. x is perpendicular to a mirror plane, so any charge displaced on one side is mirrored on the other; the x faces cannot charge under stress P. Practical orientation: in boules pulled along z, the mirror planes outcrop as three facets along the growth axis, 120° apart, which mark y P-comp.
Residual sign freedom. A 180° rotation about z keeps the axis rules for z but flips d22; once +y is fixed by d22 > 0 no freedom remains, so c14 > 0 in any frame that obeys IEEE 176 or IRE 1949 derived. A 180° rotation about x flips z and therefore every odd-rank tensor (p, d, r, χ(2)) but not c or the photoelastic p derived.
Breaking the symmetry. A static field is a polar vector, so the crystal under field keeps only the elements of 3m that leave the field unchanged (Curie's principle) derived. E along z keeps all of 3m: the crystal stays uniaxial and no, ne shift through r13 and r33. E along y, which lies in a mirror plane, keeps that one mirror: point symmetry m. E along x, which is perpendicular to a mirror plane, keeps no mirror (the mirror normal to x reverses Ex; the other two mirror normals sit at 60° and 120° to x): point symmetry 1. For either transverse direction the impermeability acquires terms through r22 and r51 and a z-cut plate becomes biaxial derived: Ex adds the xy term −r22Ex, which turns the in-plane principal axes to 45°, and the xz term r51Ex; Ey splits the xx and yy terms by ∓r22Ey without turning them and adds the yz term r51Ey derived. The Neumann machine shows this as the converse of Neumann's principle: lower the symmetry and new components appear.
Sources
- Weis & Gaylord 1985R. S. Weis, T. K. Gaylord, "Lithium niobate: Summary of physical properties and crystal structure", Appl. Phys. A 37, 191-203 (1985). doi:10.1007/BF00614817
- IEEE Std 176-1987IEEE Standard on Piezoelectricity, IEEE Std 176-1987 (1988); reprinted IEEE Trans. Ultrason. Ferroelectr. Freq. Control 43, 717 (1996). doi:10.1109/IEEESTD.1988.79638
- Volk & Wöhlecke 2008T. Volk, M. Woehlecke, Lithium Niobate: Defects, Photorefraction and Ferroelectric Switching, Springer Series in Materials Science 115 (Springer, Berlin Heidelberg, 2008). doi:10.1007/978-3-540-70766-0