Diffraction calculator of hexagonal unit cells
Enter number of shells in the 2D-hexagonal unit cell, their radius r, ther electron density c and their shape (circular or hexagonal). Radii should be increasing from 1 to 10 and overlapping of hexagons and circles should be avoided. The first 15 diffraction peaks of the hexagonal lattice will be calculated. The values are listed hk^2, q(hk), F(hk) and I(hk) - where the intensities I(hk) are the amplitudes squared F^2 divided by the multiplicity and by hk^2 - in arbitrary units and can be copied and pasted from the window into any text-file for further processing and graphical displaying.
Input
hk^2, q, F(q), I(q)
shells
10
9
8
7
6
5
4
3
2
1
d
r(1)
c(1)
circ
hex
r(2)
c(2)
circ
hex
r(3)
c(3)
circ
hex
r(4)
c(4)
circ
hex
r(5)
c(5)
circ
hex
r(6)
c(6)
circ
hex
r(7)
c(7)
circ
hex
r(8)
c(8)
circ
hex
r(9)
c(9)
circ
hex
r(10)
c(10)
circ
hex
Nr
r
_{max}
Author:
M.Kriechbaum
, TU-Graz (2018), e-mail:
manfred.kriechbaum@tugraz.at