Effective mass

• The effective mass can depend on the direction

of motion due to the anisotropy of the band
structure. In such cases, it is necessary to
describe the effective mass using a tensor,
known as the effective mass tensor.

• The effective mass tensor is a 3x3 matrix

• The effective mass tensor can be used to

describe the behavior of charge carriers in non-
cubic crystal structures, where the effective
mass varies with direction. The tensor can be
used to calculate properties such as the mobility
and conductivity of the semiconductor, which
are important for designing and optimizing
 Broadening of HOMO in molecular Crystal
An intuitive outcome of the tight binding approximation
is that the spacing between molecules should
decrease as the crystal is compressed, thereby resulting
in a broadening of the bands as well as a decrease
in the lowest energy transition from the ground to the
excited state.
Pressure Induced Metallization of a Neutral Radical Conductor

https://pubs.acs.org/doi/10.1021/ja411057x
 Dispersion
relationships

The relative position of the wavefunction

phases between adjacent molecules in the crystal
significantly affects the band structure
(i.e. the splitting of the bands within the LUMO
and HOMO manifolds) and consequently, the
charge mobility.
Dispersion relationships
• There are several methodsNext
forHOMO
measuring the frontier
, • orbitals of organic
y semiconductors, most notably
ultraviolet photoelectron
spectroscopy (UPS, also known
simply as photoelectron
spectroscopy PES) and cyclic
voltammetry (CV).
narrower BW is a consequence
• Angleresolved
of the moreultraviolet
tightly bound inner shell electrons
that make up the deeper HOMO levels
photoelectron spectroscop
UPS
 a red colored polycyclic aromatic hydrocarbon.

Rubrene Angle-resolved ultraviolet photoelectron spectroscopy (ARUPS)

is a powerful technique for clarifying the band dispersion of
materials since one can directly obtain W and m*h determining
the transport characteristics

https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.104.156401
 Inverse Photoemission Spectroscopy
(IPES)

Inverse photoemision can be

considered the "time reversal" of
the photoemission process. An
electron can be absorbed by the
material into an unoccupied state
above the Fermi level, in doing so
it will emit a photon.