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Lattice Vectors and Primitive Cells

The document discusses translation and reciprocal lattice vectors in real and reciprocal spaces, detailing standard choices for primitive cells, including Wigner-Seitz cells and Brillouin zones. It outlines the construction process for these cells and provides information on lattice packing fractions for different structures. Additionally, it mentions energy band structures and p-n junctions in relation to lattice configurations.

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Ansh Rastogi [IITR]
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37 views14 pages

Lattice Vectors and Primitive Cells

The document discusses translation and reciprocal lattice vectors in real and reciprocal spaces, detailing standard choices for primitive cells, including Wigner-Seitz cells and Brillouin zones. It outlines the construction process for these cells and provides information on lattice packing fractions for different structures. Additionally, it mentions energy band structures and p-n junctions in relation to lattice configurations.

Uploaded by

Ansh Rastogi [IITR]
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
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Translation Vectors &

Reciprocal Lattice Vectors


(if it is the REAL space) (if it is
the RECIPROCAL space)
T=la+mb+nc (l, m, n : Int

G=hA+kB+lC (h, k, l : Inte


Standard Choices for the Primitive Cell:

1. With Lattice points


only at the corners

(a) Coordinates of atoms 0, 1, 2, 3?


Your text here

(b) Identify a1, a2, a3 in the RHS figure.

2. With Lattice point only at the Center :


Wigner Seitz cell in Real space
Brillouin zone in Reciprocal space
Standard Choices for the Pr. Cell:

2. With Lattice point at the Center ----


Wigner Seitz cell in
Real space
Brillouin zone in
Reciprocal space The STANDARD CHOICE for the
Reciprocal space or k-space

Brillouin zone

The Lattice Point at the Center is


named GAMMA

for ALL KINDS OF LATTICES


Translation Vectors & Reciprocal Lattice
Vectors
Are these 2 the same Lattices??
Volume??
Construction of a Wigner Seitz cell ( in Real
space)
or
Construction of a Brillouin zone (in How many HEXAGONS?
Reciprocal space) How many SQUARES?

What additional information is there in the


2nd figure?
For construction of WS cell (or BZ)

(A primitive cell with a lattice point at the


CENTRE)

1.Choose a lattice point as ORIGIN.

2.Join it to its all the nearest neighbors.

3.Draw perpendicular bisectors of the


connectors
(These are planes for 3D lattice; Lines for 2D
lattice,
& ….)

4. Is the volume or Area enclosed, the


MINIMUM?
(How to check??)
4. Is the volume or Area enclosed, the
MINIMUM?
(How to check??)

Join that atom to its 2nd nearest neighbors &


draw perpendicular bisectors to these lines.

Is the Original Volume/ area truncated by


these new PB’s?

(a)If NOT, the volume/area was the minimum


& you already have the WS cell or the BZ.

(b) If YES, the TRUNCATED VOLUME/ AREA


is the MINIMUM one, and this is the WS Cell
or the BZ.
BZ of
FCC

BZ of
BCC

WS cell of
BCC
Lattice packing fraction

SC 52%

BCC 68%

FCC 74%

HCP 74%
Schematic Energy band
Energy Band Structure (E vs. diagram
k plots) (E vs. ?? plots)
p-n junction
matic band diagrams are Energy vs. distance plots

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