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Brillouin Zone And Kpath 6: A2×A3 A 1 ×A 2 ×A 3 A1×A3 A 1 ×A 2 ×A 3 A2×A1 A 1 ×A 2 ×A 3 Г X M Г ×
Brillouin Zone And Kpath 6: A2×A3 A 1 ×A 2 ×A 3 A1×A3 A 1 ×A 2 ×A 3 A2×A1 A 1 ×A 2 ×A 3 Г X M Г ×
M
4
0
X
kz
-2
-4
-6
-6 -4 -2 0 2 4 6
kx
a 2 ×a 3
b1=2π×
a 1 ×a 2 ×a 3
a 1 ×a 3
b2=2π×
a 1 ×a 2 ×a 3
a 2 ×a 1
b3=2π×
a 1 ×a 2 ×a 3
Г 0 0 0
() (
X
M
Г
2×π
0.5
0.5
0
0 0
0 0.5
0 0
)
Brillouin zone and KPath
8
4 K2 M K
2 M2 M6
0
K3 K6
kz
M3 M5
-2
K4 M4 K5
-4
-6
-8
-6 -4 -2 0 2 4 6
kx
ScaleFactor 2*pi
0 0 0 Gamma
0.333333 0 0.57735 K
0 0 0.57735 M
-0.333333 0 0.57735 K2
-0.5 0 0.288675 M2
-0.666667 0 0 K3
-0.5 0 -0.288675 M3
-0.333333 0 -0.57735 K4
0 0 -0.57735 M4
0.333333 0 -0.57735 K5
0.5 0 -0.288675 M5
0.666667 0 0 K6
0.5 0 0.288675 M6