Begin by determining the energies of single atom represented by a rectangular
potential energy diagram. The opening screen of the program shows a default
potential energy well (Depth = 100eV, Width = 0.1nm).
Changing the Depth of a Single Potential Well: Change the depth of the single
potential well using the "Depth" (eV) slider in the "Regular
Solid" tab below the potential energy graph. The depth can be varied from
0eV to 400eV.
Changing the Width of a Single Potential Well: Change the width of the single
potential well using the "Width" (nm) slider in the "Regular
Solid" tab below the potential energy graph. The width can be varied from
0.05nm to 0.2nm.
Determining the Allowed Energies: After altering the parameters of the potential
well representing a single atom, click the "Find Energies" button. The
allowed energy levels for the atom whose potential energy diagrams are displayed,
will appear on the diagram as horizontal red lines.
STEP 2: Energy Bands in Solids -- Multiple Atoms
Having observed the energy levels of a single atom, investigate changes in
these energy levels when several atoms are brought close together.
Changing the Number of Atoms: Increase the number of atoms in the "Regular
Solid" by moving the "Number of Atoms" slider from its default value of 1 to
any number up to 50. The single potential well that was created in Step
1 duplicates appropriate number of times to indicate multiple atoms. If
the array of identical atoms extends off the screen a message (graph extends
off screen) appears near the bottom right of the top pane.
Changing the Separation between Atoms: Change the "Separation" (nm) between
adjacent atoms that you created above using the appropriate slider in the "Regular
Solid" tab below. The range for the separation extends from 0.05 to 1.0nm. However,
if you choose a "Separation" (nm) less than the "Width" (nm) that you specified
in Step 1, the program will prompt you for a new value.
Determining the Allowed Energies -- an Energy Band: After altering all the
parameters representing the "Regular Solid", click the "Find Energies" button. The
allowed energy levels for the atom whose potential energy diagram is displayed,
will appear on the diagram as horizontal red lines. If you have chosen
several, closely spaced atoms, the energy levels will appear as a continuum
of states -- an energy band.
Observing the Energy Levels more closely: Click on the "Zoom" button (magnifying
glass tool), and then click within the potential energy diagram, to enlarge
the energy diagram so that individual energies in a closely spaced energy band
become visible. Clicking in the energy graph repeatedly, zooms further
into the graph. Clicking the "Zoom" button, restores the graph to its
original scale.
STEP 3: Creating Impurity States
Add impurity atoms to the "Regular Solid" by clicking on the "Impurity" tab. The
screen of the program shows the default parameters of the impurity atom
(Depth = 100eV, Width = 0.1nm).
Changing the Depth of the Impurity Atom: Change the depth of the impurity atom
using the "Depth" (eV) slider in the "Impurity" tab below the potential energy
graph. The depth can be varied from 0eV to 400eV. Usually a donor
impurity atom is characterized by a well that is slightly deeper than that
of the regular solid atom, and an acceptor impurity atom is characterized by
a well that is slightly shallower than that of the regular solid atom.
Changing the Width of the Impurity Atom: Change the width of the single potential
well using the "Width" (nm) slider in the "Impurity" tab below the potential
energy graph. The width can be varied from 0.05nm to 0.2nm. Usually
a donor atom is characterized by a well that is slightly wider than that of
the regular solid atom, and an a acceptor impurity atom is characterized by
a well that is slightly narrower than that of the regular solid atom.
Changing the Impurity Concentration: Increase the concentration of impurity
atoms in the "Regular Solid" by moving the "Impurity Concentration" slider
from its default value of 0 (impurity atoms in 10 regular solid atoms) to any
number up to 10. Impurity atoms (shaded green) appear amidst the regular
solid atoms (shaded blue).
Determining the Allowed Energies: After altering the parameters of the Impurity,
click the "Find Energies" button. The allowed energy levels for the regular
solid appear in red, while those corresponding to the impurity atoms appear
in green.