Semiconductor Energy

Band Theory
 Band Gap Diagram
 The energy band gap diagram of a semiconductor has different level of
energy states.
 There are allowed and forbidden energy gaps.

Ec Allowed Energy
Forbidden States
Energy zone Ev
 Potential Function
 Potential function of an non-
interacting electron is given as:

𝑞2
P.E. =−
4𝜋𝜖0 𝑥

 Potential function of two non-

interacting electrons separated by
a distance ‘a’.
 Potential Function
 For a 1-D lattice with a lattice constant of ‘a’

V(x)

V0
 Solution of Schrodinger Wave Equation
 The Schrodinger wave equation for a 1-D single crystal model
For −∞ < 𝑥 < ∞
𝜕2𝜓 2𝑚
2
+ 2 𝐸−𝑉 𝑥 𝜓 =0
𝜕𝑥 ℏ

 The potential function V(x) is unknown.

 The solution of the schrodinger equation for a periodic potential can be

given with the help of:
 Kronig-Penny Model
 Bloch Theorem
 Kronig-Penny Model
 The approximated potential function is given as:
V(x)

V0

-b 0 a a+b x

0 𝑓𝑜𝑟 0 < 𝑥 < 𝑎

𝑉(𝑥) = ቊ
𝑉0 𝑓𝑜𝑟 − 𝑏 < 𝑥 < 0

Period = a+b
 Bloch Theorem
 Relates value of wave function within any unit cell of a periodic potential to an
equivalent point in any other unit cell.

𝜓 𝑥 = 𝑢 𝑥 𝑒𝑗𝑘𝑥

 Where 𝑢 𝑥 is a periodic function with the period same as potential function.

 Also for a function with period ‘d’

𝜓 𝑥 + 𝑑 = 𝑒 𝑗𝑘𝑑 𝜓 𝑥

 So, for an 1-D lattice with a periodicity (a+b)

𝜓 𝑥 + 𝑎 + 𝑏 = 𝑒 𝑗𝑘(𝑎+𝑏) 𝜓 𝑥
 Solution of Schrodinger Wave Equation
V(x)
 The Schrodinger wave equation for the region I & II
V0
𝜕2𝜓1
+ 𝛼2𝐸𝜓1 = 0 II I
𝜕𝑥 2

2𝑚
Where 𝛼 = -b 0 a
ℏ2 a+b x
𝜕2𝜓2 2𝜓 = 0
+ β 2
𝜕𝑥2
2𝑚
Where β1 = 𝑉0 − 𝐸 and β = 𝑗β1
ℏ2

 The general solution of the above equations can be given as:

2𝑚𝐸
𝜓1 𝑥 = 𝐴1𝑆𝑖𝑛 𝛼𝑥 + 𝐵1𝐶𝑜𝑠(𝛼𝑥) 𝛼=
ℏ2

2𝑚(𝑉0 − 𝐸)
𝜓2 𝑥 = 𝐴2𝑆𝑖𝑛 𝛽𝑥 + 𝐵2𝐶𝑜𝑠(𝛽𝑥) 𝛽 = 𝑗𝛽1 =
ℏ2
 Solution of Schrodinger Wave Equation
V(x)
𝜓1 𝑥 = 𝐴1𝑆𝑖𝑛 𝛼𝑥 + 𝐵1𝐶𝑜𝑠(𝛼𝑥)
V0
𝜓2 𝑥 = 𝐴2𝑆𝑖𝑛 𝛽𝑥 + 𝐵2𝐶𝑜𝑠(𝛽𝑥)
 Applying boundary conditions at x=0 II I

𝜕𝜓1(0) = 𝜕𝜓2(0)
𝜓1 0 = 𝜓2 0
𝜕𝑥 𝜕𝑥 -b 0 a a+b x
𝐵1 = 𝐵2 𝛼𝐴1 = 𝛽𝐴2
 Using Bloch’s theorem
𝜓 𝑎 = 𝑒 𝑗𝑘(𝑎+𝑏) 𝜓 −𝑏

 Boundary conditions at x=a

𝜕𝜓1 𝜕𝜓2
𝜓1 𝑎 = 𝑒 𝑗𝑘(𝑎+𝑏) 𝜓2 −𝑏 ቤ = 𝑒 𝑗𝑘(𝑎+𝑏) ቤ
𝜕𝑥 𝑥=𝑎 𝜕𝑥 𝑥=−𝑏
 Solution of Schrodinger Wave Equation
V(x)
𝐴1𝑆𝑖𝑛 𝛼𝑎 + 𝐵1𝐶𝑜𝑠(𝛼𝑎) = 𝑒 𝑗𝑘 𝑎+𝑏
−𝐴2𝑆𝑖𝑛 𝛽𝑏 + 𝐵2𝐶𝑜𝑠 𝛽𝑏
V0
𝛼𝐴1𝐶𝑜𝑠 𝛼𝑎 − 𝛼𝐵1𝑆𝑖𝑛(𝛼𝑎) = 𝑒 𝑗𝑘 𝑎+𝑏 𝛽𝐴2𝐶𝑜𝑠 𝛽𝑏 + 𝛽𝐵2𝑆𝑖𝑛 𝛽𝑏
II I
 Also
𝐵1 = 𝐵2
-b 0 a a+b x
𝛼𝐴1 = 𝛽𝐴2

 Using four equation we can write:

𝛼 𝑗𝑘 𝑎+𝑏
𝐴1 𝑆𝑖𝑛 𝛼𝑎 + 𝑒 𝑆𝑖𝑛 𝛽𝑏 + 𝐵1[𝐶𝑜𝑠 𝛼𝑎 − 𝑒 𝑗𝑘 𝑎+𝑏 𝐶𝑜𝑠 𝛽𝑏 ] = 0
𝛽

𝐴1 𝛼𝐶𝑜𝑠 𝛼𝑎 − 𝑒 𝑗𝑘 𝑎+𝑏 𝐶𝑜𝑠 𝛽𝑏 + 𝐵1[−𝛼𝑆𝑖𝑛 𝛼𝑎 − 𝛽𝑒 𝑗𝑘 𝑎+𝑏 𝑆𝑖𝑛 𝛽𝑏 ] = 0

 Solution of Schrodinger Wave Equation
𝛼 𝑗𝑘 𝑎+𝑏
𝑆𝑖𝑛 𝛼𝑎 + 𝑒 𝑆𝑖𝑛 𝛽𝑏 𝐶𝑜𝑠 𝛼𝑎 − 𝑒 𝑗𝑘 𝑎+𝑏 𝐶𝑜𝑠 𝛽𝑏
𝛽 =0
𝛼𝐶𝑜𝑠 𝛼𝑎 − 𝑒 𝑗𝑘 𝑎+𝑏 𝐶𝑜𝑠 𝛽𝑏 −𝛼𝑆𝑖𝑛 𝛼𝑎 − 𝛽𝑒 𝑗𝑘 𝑎+𝑏 𝑆𝑖𝑛 𝛽𝑏

 The eigen value function of the above matrix determinant is given as:

𝛼2 + 𝛽2
− 𝑆𝑖𝑛 𝛼𝑎 𝑆𝑖𝑛 𝛽𝑏 + 2𝐶𝑜𝑠 𝛼𝑎 𝐶𝑜𝑠 𝛽𝑏 = 2Cos k a + b (1)
𝛼𝛽
 Condition 1: E<V0

1 − 2𝜉
𝑆𝑖𝑛 𝑎𝑓0 𝜉 𝑆𝑖𝑛ℎ 𝑏𝑓0 1 − 𝜉 + 𝐶𝑜𝑠 𝑎𝑓0 𝜉 𝐶𝑜𝑠ℎ 𝑏𝑓0 1 − 𝜉 = Cos k a + b
2 𝜉(1 − 𝜉)
𝐸 2𝑚𝑉0
𝜉= 𝑓0 = 𝑆𝑖𝑛 𝑗𝑘𝑥 = 𝑗𝑆𝑖𝑛ℎ 𝑘𝑥 𝐶𝑜𝑠 𝑗𝑘𝑥 = 𝐶𝑜𝑠ℎ(𝑘𝑥)
𝑉0 ℏ2
 Solution of Schrodinger Wave Equation
 Condition 1: E>V0
1 − 2𝜉
𝑆𝑖𝑛 𝑎𝑓0 𝜉 𝑆𝑖𝑛 𝑏𝑓0 𝜉 − 1 + 𝐶𝑜𝑠 𝑎𝑓0 𝜉 𝐶𝑜𝑠 𝑏𝑓0 𝜉 − 1 = Cos k a + b
2 𝜉(𝜉 − 1)

 Using both conditions, the wave function is plotted as: F ξ = Cos k a + b

F(𝜉) 2𝜋
𝑘=±
𝑘=0 𝑎+𝑏
+1

𝐹𝑜𝑟𝑏𝑖𝑑𝑑𝑒𝑛 𝑍𝑜𝑛𝑒
𝐴𝑙𝑙𝑜𝑤𝑒𝑑
𝐸𝑛𝑒𝑟𝑔𝑦 𝑠𝑡𝑎𝑡𝑒 𝜉 or E
0

−1
𝜋
𝑘=±
𝑎+𝑏
E-k Plot for a electron in periodic potential
𝐸

2nd 2nd

1st Brillouin
zone

𝑘
−3𝜋 −2𝜋 −𝜋 0 𝜋 2𝜋 3𝜋
𝑎+𝑏 𝑎+𝑏 𝑎+𝑏 𝑎+𝑏 𝑎+𝑏 𝑎+𝑏
Reduced E-k Plot
𝐸

𝑘
−𝜋 0 𝜋
𝑎+𝑏 𝑎+𝑏
 Effective Mass
 Total force on an electron inside lattice
𝐹 = 𝐹𝑒𝑥𝑡 + 𝐹𝑖𝑛𝑡 𝐹𝑒𝑥𝑡 = 𝑚𝑎

∗
𝑑𝑣𝑔 ∗
𝑑𝜔
𝐹=𝑚 𝑎=𝑚 𝑣𝑔 =
𝑑𝑡 𝑑𝑘
𝑑𝐸 𝑑𝜔
=ℏ
𝑑𝑘 𝑑𝑘
𝑑𝑣𝑔 1 𝑑 𝑑𝐸 𝑑𝐸 𝐹 𝑑𝐸
= = 𝐹𝑣𝑔 =
𝑑𝑡 ℏ 𝑑𝑘 𝑑𝑡 𝑑𝑡 ℏ 𝑑𝑘

𝑑𝑃 𝑑(ℏ𝑘)
𝐹= =
𝑑𝑡 𝑑𝑡

𝑑𝑣𝑔 𝐹 𝑑2𝐸 ∗
ℏ2
= 2 2 𝑚 = 2
𝑑𝑡 ℏ 𝑑𝑘 𝑑𝐸
𝑑𝑘2
1
𝑚∗ ∝
𝑐𝑢𝑟𝑣𝑎𝑡𝑢𝑟𝑒 𝑜𝑓 𝐸 − 𝑘 𝑃𝑙𝑜𝑡