I.Introduction
1.Nanostructures
Definition : material systems with length scale of ~ 1-100 nm in at least one dimension.
Classification :
2-D: quantum wells, atomic layers
1-D: quantum wires, nanowires
0-D: quantum dots, macro-molecules
Mesoscopic structures : Between individual atoms/molecules and macroscopic bulk materials.
Two approaches : bottom-up and top-down
Top-down approach:Bulk crystals cutting, micro-machining
Bottom-up approach:Atoms
Integrated circuits : various layers of semiconductor, insulators and metal interconnects
Unique Properties of Nanostructures :
Compact desity, high speed and efficiency
Quantum confinement:quantization and reducecd
dimensionality of electroic states
Quantum coherence
Surface/interface states
Meta-stable phases,adjustable atomic structure, size and shape - lead to properties tunable
Various functionalities from same material
2.Summary for nanommaterials
Special properties quite different from bulks
Unique and novel functions
Sensitive
Plenty room at the bottom
II.Quantum mechanics of low-D systems
1.basis
Time-independent Schrödinger equation :
− h 2 2 m ∇ 2 ψ ( r ) + V ( r ) ψ ( r ) = E ψ ( r ) -\frac{\mathrm{h}^2}{2 m} \nabla^2 \psi(\boldsymbol{r})+V(\boldsymbol{r}) \psi(\boldsymbol{r})=E \psi(\boldsymbol{r})
− 2 m h 2 ∇ 2 ψ ( r ) + V ( r ) ψ ( r ) = E ψ ( r )
Free particle [with V ( r ) = 0 V(r)=0 V ( r ) = 0 ], plane wave:
Ψ ( r , t ) = A exp ( i k ⋅ r − i E t / ℏ ) \Psi(\boldsymbol{r}, t)=A \exp (i \mathbf{k} \cdot \boldsymbol{r}-i E t / \hbar)
Ψ ( r , t ) = A exp ( i k ⋅ r − i E t / ℏ )
Energy and momentum of the particle :
E = ℏ ω = ℏ 2 k 2 / ( 2 m ) = ℏ 2 ( k x 2 + k y 2 + k z 2 ) / ( 2 m ) = ε ( k ) p = ℏ k \begin{aligned}
& E=\hbar \omega=\hbar^2 k^2 /(2m)=\hbar^2\left(k_x^2+k_y^2+k_z^2\right) /(2m)=\varepsilon(k) \\
& \boldsymbol{p}=\hbar \boldsymbol{k}
\end{aligned}
E = ℏ ω = ℏ 2 k 2 / ( 2 m ) = ℏ 2 ( k x 2 + k y 2 + k z 2 ) / ( 2 m ) = ε ( k ) p = ℏ k
de Broglie wavelength : λ = h / p \lambda=h / p λ = h / p
Probability of finding the particle at r \boldsymbol{r} r : P ( r , t ) = ∣ Ψ ( r , t ) ∣ 2 \mathrm{P}(\boldsymbol{r}, t)=|\Psi(\boldsymbol{r}, t)|^2 P ( r , t ) = ∣ Ψ ( r , t ) ∣ 2
For a free particle, the probability is the same everywhe
1D potential well of infinite depth :
V ( x ) = { 0 , if 0 ≤ x ≤ a ∞ , otherwise V(x)= \begin{cases}0, & \text { if } 0 \leq \mathrm{x} \leq \mathrm{a} \\ \infty, & \text { otherwise }\end{cases}
V ( x ) = { 0 , ∞ , if 0 ≤ x ≤ a otherwise
ψ n ( x ) = { A n sin ( n π a x ) , for 0 ≤ x ≤ a 0 , otherwise ε n = h 2 k n 2 2 m = h 2 π 2 n 2 2 m a 2 = ε ( k n ) \psi_n(x)=\left\{\begin{array}{ll}A_{\mathrm{n}} \sin \left(\frac{n \pi}{a} \mathrm{x}\right), & \text { for } 0 \leq \mathrm{x} \leq \mathrm{a} \\ 0, & \text { otherwise }\end{array} \quad \varepsilon_n=\frac{\mathrm{h}^2 k_n^2}{2 m}=\frac{\mathrm{h}^2 \pi^2 n^2}{2 m a^2}=\varepsilon\left(k_n\right)\right. ψ n ( x ) = { A n sin ( a n π x ) , 0 , for 0 ≤ x ≤ a otherwise ε n = 2 m h 2 k n 2 = 2 m a 2 h 2 π 2 n 2 = ε ( k n )
Discrete energy levels, with n = 1 , 2 , 3 … \mathrm{n}=1,2,3 \ldots n = 1 , 2 , 3 …
Ground-state ( n = 1 \mathrm{n}=1 n = 1 ) energy = h 2 / ( 8 m a 2 ) =\mathrm{h}^2 /\left(8 \mathrm{~m} a^2\right) = h 2 / ( 8 m a 2 ) , zero-point or confinement energy
Potential wells of finite depth :
V ( x ) = { − V 0 for − a / 2 ≤ x ≤ a / 2 0 otherwise V(x)=\left\{\begin{array}{cc}
-\mathrm{V}_0 & \text { for }-a / 2 \leq \mathrm{x} \leq \mathrm{a} / 2 \\
0 & \text { otherwise }
\end{array}\right.
V ( x ) = { − V 0 0 for − a / 2 ≤ x ≤ a / 2 otherwise
For E < 0 E < 0 E < 0 , only a certain number of E values are allowed. The particle remains confined, but not completely within the well.
For E > 0 E > 0 E > 0 , any values are allowed, the probability of finding particle does not approach zero away from the
well: The particle is free
Contribution to electric conductivity : Confind(localized) states are insulating, free states are conductive
Quantum well : particle confined by a 1-D potential well, but free in other 2-D, quantum states labeled by n , k x n, k_x n , k x and k y k_y k y :
ε ( n , k x , k y ) = h 2 2 m ( π 2 n 2 a 2 + k x 2 + k y 2 ) Each n represents a branch or subband \begin{aligned}
&\varepsilon\left(n, k_x, k_y\right)=\frac{\mathrm{h}^2}{2 m}\left(\frac{\pi^2 n^2}{a^2}+k_x^2+k_y^2\right)\\
&\text { Each } n \text { represents a branch or subband }
\end{aligned}
ε ( n , k x , k y ) = 2 m h 2 ( a 2 π 2 n 2 + k x 2 + k y 2 ) Each n represents a branch or subband
Quantum wire : particle confined by 2-D potential wells, free only in 1-D (1-D free particle), quantum states labeled by n 1 , n 2 n_1, n_2 n 1 , n 2 and k z k_z k z :
ε ( n 1 , n 2 , k z ) = h 2 2 m ( π 2 n 1 2 a 2 + π 2 n 2 2 b 2 + k z 2 ) \varepsilon\left(n_1, n_2, k_z\right)=\frac{h^2}{2 m}\left(\frac{\pi^2 n_1^2}{a^2}+\frac{\pi^2 n_2^2}{b^2}+k_z^2\right)
ε ( n 1 , n 2 , k z ) = 2 m h 2 ( a 2 π 2 n 1 2 + b 2 π 2 n 2 2 + k z 2 )
Quantum dot: particle confined by potential wells in 3-D, quantum states labeled n 1 , n 2 n_1, n_2 n 1 , n 2 and n 3 n_3 n 3 :
ε ( n 1 , n 2 , n 3 ) = h 2 π 2 2 m ( n 1 2 a 2 + n 2 2 b 2 + n 3 2 c 2 ) \varepsilon\left(n_1, n_2, n_3\right)=\frac{h^2 \pi^2}{2 m}\left(\frac{n_1^2}{a^2}+\frac{n_2^2}{b^2}+\frac{n_3^2}{c^2}\right)
ε ( n 1 , n 2 , n 3 ) = 2 m h 2 π 2 ( a 2 n 1 2 + b 2 n 2 2 + c 2 n 3 2 )
Count states in k-space : Allowed states are separated by a spacing 2 π / L 2\pi/L 2 π / L
DOS in k k k -space N ( k ) : N 1 D ( k ) δ k = 2 L 2 π δ k N(k): \quad N_{1 D}(k) \delta k=2 \frac{L}{2 \pi} \delta k \quad N ( k ) : N 1 D ( k ) δ k = 2 2 π L δ k (2-fold spin degeneracy)
For a unit length: n 1 D ( k ) = N 1 D ( k ) / L = 1 / π n_{1 \mathrm{D}}(k)=N_{1 \mathrm{D}}(k) / L=1 / \pi n 1 D ( k ) = N 1 D ( k ) / L = 1 / π , Independent of L L L
n 1 D ( E ) = 2 n 1 D ( k ) / ( d ε / d k ) = 2 π / ( h 2 k m ) = 1 π h 2 m E n 1 D ( E ) diverges as E − 1 2 when E → 0 , van Hove singularity \begin{aligned}
&n_{1 \mathrm{D}}(E)=2 n_{1 \mathrm{D}}(k) /(d \varepsilon / d k)=\frac{2}{\pi} /\left(\frac{\mathrm{h}^2 k}{m}\right)=\frac{1}{\pi \mathrm{~h}} \sqrt{\frac{2 m}{E}}\\
&n_{1 D}(E) \text { diverges as } E^{-\frac{1}{2}} \text { when } E \rightarrow 0 \text {, van Hove singularity }
\end{aligned}
n 1 D ( E ) = 2 n 1 D ( k ) / ( d ε / d k ) = π 2 / ( m h 2 k ) = π h 1 E 2 m n 1 D ( E ) diverges as E − 2 1 when E → 0 , van Hove singularity
n 2 D ( E ) = m π h 2 n_{2 \mathrm{D}}(E)=\frac{m}{\pi h^2}
n 2 D ( E ) = π h 2 m
n 3 D ( E ) = m π 2 h 3 2 m E n_{3 \mathrm{D}}(E)=\frac{m}{\pi^2 \mathrm{~h}^3} \sqrt{2 m E}
n 3 D ( E ) = π 2 h 3 m 2 m E
Distributions of Electrons in Energy Space
Density of States (DOS)
DOS for a 3-D system: n 3 D ( E ) = m π 2 h 3 2 m E \quad n_{3 \mathrm{D}}(E)=\frac{m}{\pi^2 \mathrm{~h}^3} \sqrt{2 m E} n 3 D ( E ) = π 2 h 3 m 2 m E
DOS for a 2-D system: n 2 D ( E ) = m π h 2 \quad n_{2 \mathrm{D}}(E)=\frac{m}{\pi \mathrm{~h}^2} \quad n 2 D ( E ) = π h 2 m It is a constant!
DOS for a 1-D system: n 1 D ( E ) = 1 π h 2 m E \quad n_{1 \mathrm{D}}(E)=\frac{1}{\pi \mathrm{~h}} \sqrt{\frac{2 m}{E}} \quad n 1 D ( E ) = π h 1 E 2 m Diverge as E → 0 \mathrm{E} \rightarrow 0 E → 0
Quantum tunneling : A particle can be reflected by or tunnel through a barrier of V 0 > E V_0>E V 0 > E
Define:
k ≡ 2 m E / ℏ κ ≡ 2 m ( V 0 − E ) / ℏ \begin{gathered}
k \equiv \sqrt{2 m E} / \hbar \\
\kappa \equiv \sqrt{2 m\left(V_0-E\right)} / \hbar
\end{gathered}
k ≡ 2 m E / ℏ κ ≡ 2 m ( V 0 − E ) / ℏ
Tunneling probability : T ∼ exp [ − 2 h ∫ a b 2 m ( V ( x ) − E ) d x ] \quad T \sim \exp \left[-\frac{2}{\mathrm{~h}} \int_a^b \sqrt{2 m(V(x)-E)} d x\right] T ∼ exp [ − h 2 ∫ a b 2 m ( V ( x ) − E ) d x ]
For a thick or tall barrier, κ a ≫ 1 \kappa a \gg 1 κ a ≫ 1
T ≈ 16 k 2 κ 2 ( k 2 + κ 2 ) 2 exp ( − 2 κ a ) = 16 E ( V 0 − E ) V 0 2 exp [ − 2 a h 2 m ( V 0 − E ) ] T \approx \frac{16 k^2 \kappa^2}{\left(k^2+\kappa^2\right)^2} \exp (-2 \kappa a)=\frac{16 E\left(V_0-E\right)}{V_0^2} \exp \left[-\frac{2 a}{\mathrm{~h}} \sqrt{2 m\left(V_0-E\right)}\right]
T ≈ ( k 2 + κ 2 ) 2 1 6 k 2 κ 2 exp ( − 2 κ a ) = V 0 2 1 6 E ( V 0 − E ) exp [ − h 2 a 2 m ( V 0 − E ) ]
III.Reviews of Solid-State & Surface Physics
1.Bloch wave function
Electronic states in a perfect crystal: Bloch wave function
ψ k ( x ) = u k ( x ) exp ( i k x ) = exp ( i k x ) ∣ u ( k ) ⟩ with: u k ( x + a ) = u k ( x ) \psi_k(x)=u_k(x) \exp (i k x)=\exp (i k x)|u(k)\rangle \quad \text { with: } \quad u_k(x+a)=u_k(x)
ψ k ( x ) = u k ( x ) exp ( i k x ) = exp ( i k x ) ∣ u ( k ) ⟩ with: u k ( x + a ) = u k ( x )
Periodically modulated plane wave, h k = \mathrm{h} \boldsymbol{k}= h k = crystal momentum
ψ k ( x ) & E ( k ) \psi_k(x) \& E(k) ψ k ( x ) & E ( k ) is also periodic in k k k , the period is 2 π / a 2 \pi / a 2 π / a
ε ( k + G n ) = ε ( k ) where G n = 2 π n / a \varepsilon\left(k+G_n\right)=\varepsilon(k) \quad \text { where } \quad G_n=2 \pi n / a
ε ( k + G n ) = ε ( k ) where G n = 2 π n / a
Effect of periodic potential is most dramatic on states of k = G n / 2 k = G_n/2 k = G n / 2 (the boundaries of Brillouin zones): It opens energy bandgaps separating allowed energy bands.
2.Velocity, Force & Mass (in 1D lattice)
Group velocity (in real space):
v g ( k ) = ( ℏ ) − 1 d ε / d k v_g(k)=(\hbar)^{-1} d \varepsilon / d k
v g ( k ) = ( ℏ ) − 1 d ε / d k
Movement in k-space under applied force F F F :
ℏ d k / d t = F , or d k / d t = F / ℏ \hbar d k / d t=F, \text { or } \quad d k / d t=F / \hbar
ℏ d k / d t = F , or d k / d t = F / ℏ
Acceleration of electron (in real space):
d v g d t = 1 ℏ d 2 ε d k d t = 1 ℏ d 2 ε d k 2 d k d t = 1 ℏ 2 d 2 ε d k 2 F = F m ∗ \frac{d v_g}{d t}=\frac{1}{\hbar} \frac{d^2 \varepsilon}{d k d t}=\frac{1}{\hbar} \frac{d^2 \varepsilon}{d k^2} \frac{d k}{d t}=\frac{1}{\hbar^2} \frac{d^2 \varepsilon}{d k^2} F=\frac{F}{m^*}
d t d v g = ℏ 1 d k d t d 2 ε = ℏ 1 d k 2 d 2 ε d t d k = ℏ 2 1 d k 2 d 2 ε F = m ∗ F
Effective mass of electrons m ∗ m^* m ∗ :
m ∗ ( k ) = ℏ ( d v g / d k ) − 1 = ℏ 2 ( d 2 ε / d k 2 ) − 1 m^*(k)=\hbar\left(d v_g / d k\right)^{-1}=\hbar^2\left(d^2 \varepsilon / d k^2\right)^{-1}
m ∗ ( k ) = ℏ ( d v g / d k ) − 1 = ℏ 2 ( d 2 ε / d k 2 ) − 1
In some cases, m ∗ m^* m ∗ can be negative, 0 or → ∞ \rightarrow \infty → ∞ ! DOS (per unit length):
n ( E ) = 2 π ( d ε / d k ) − 1 n(E)=\frac{2}{\pi}(d \varepsilon / d k)^{-1}
n ( E ) = π 2 ( d ε / d k ) − 1
Movement in k-space under applied force F F F :
ℏ d k / d t = F \hbar^{d \boldsymbol{k}} /{ }_{d t}=\boldsymbol{F}
ℏ d k / d t = F
In EM fields: ℏ d k / d t = − e ( E + r ˙ × B ) \quad \hbar^{d \boldsymbol{k}} /{ }_{d t}=-e(\boldsymbol{E}+\dot{\boldsymbol{r}} \times \boldsymbol{B}) ℏ d k / d t = − e ( E + r ˙ × B )
Group velocity (in real space):
v ( k ) = r ˙ c = 1 ℏ ∇ k ε ( k ) \boldsymbol{v}(\boldsymbol{k})=\dot{\boldsymbol{r}}_{\boldsymbol{c}}=\frac{1}{\hbar} \nabla_k \varepsilon(\boldsymbol{k})
v ( k ) = r ˙ c = ℏ 1 ∇ k ε ( k )
DOS (per unit volume):
n ( ε ) = k 2 π 2 ( d ε d k ) − 1 n(\varepsilon)=\frac{k^2}{\pi^2}\left(\frac{d \varepsilon}{d k}\right)^{-1}
n ( ε ) = π 2 k 2 ( d k d ε ) − 1
Rate of group velocity change:
d v g / d t = ( M ) − 1 F d \boldsymbol{v}_g /_{d t}=(\boldsymbol{M})^{-1} \boldsymbol{F}
d v g / d t = ( M ) − 1 F
Inverse Mass Tensor M − 1 \mathbf{M}^{\mathbf{- 1}} M − 1 :
M i j − 1 = ℏ − 2 d 2 ε / d k i d k j M_{i j}^{-1}=\hbar^{-2} d^2 \varepsilon / d k_i d k_j
M i j − 1 = ℏ − 2 d 2 ε / d k i d k j
Si: m ∗ / m 0 = 0.98 m^* / m_0=0.98 m ∗ / m 0 = 0 . 9 8 , GaAs: m ∗ / m 0 = 0.067 m^* / m_0=0.067 m ∗ / m 0 = 0 . 0 6 7
3-D crystals: unit cells identified by 3 primitive vectors a 1 , a 2 , a 3 \boldsymbol{a}_1, \boldsymbol{a}_2, \boldsymbol{a}_3 a 1 , a 2 , a 3
Reciprocal space ( k \boldsymbol{k} k -space): reciprocal lattice vector G \boldsymbol{G} G
Reciprocal primitive vectors: b 1 , b 2 , b 3 \boldsymbol{b}_1, \boldsymbol{b}_2, \boldsymbol{b}_3 b 1 , b 2 , b 3
where b 1 = 2 π a 2 × a 3 a 1 ∙ ( a 2 × a 3 ) \text { where } \quad b_1=2 \pi \frac{a_2 \times a_3}{a_1 \bullet\left(a_2 \times a_3\right)}
where b 1 = 2 π a 1 ∙ ( a 2 × a 3 ) a 2 × a 3
There are 7 crystal systems and 14 lattice types in 3-D.
3.Electric current in solid: two types of carriers
Electrons : electrons in conduction band of density n n n
Holes : empty states in valence band of density p p p
Carrier mobility: v = μ E , v=\mu \boldsymbol{E}, \quad v = μ E , and μ = e τ m ∗ \quad \mu=\frac{e \tau}{m^*} μ = m ∗ e τ
Conductivity: σ = e ( n μ n + p μ p ) \quad \sigma=e\left(n \mu_n+p \mu_p\right) σ = e ( n μ n + p μ p )
Total current density: sum of drift and diffusion terms
J = e n μ E + e D ∇ n ( assume n ≫ p ) \boldsymbol{J}=e n \mu \boldsymbol{E}+e D \nabla n \quad(\text { assume } n \gg p)
J = e n μ E + e D ∇ n ( assume n ≫ p )
Einstein relation:
μ = e D k B T \mu=\frac{e D}{k_B T}
μ = k B T e D
4.Carrier type, density & mobility
determined in Hall measurements
Longitudinal conductance:
J x = σ E x = e ( n μ e + p μ h ) E x \boldsymbol{J}_{\boldsymbol{x}}=\boldsymbol{\sigma} \boldsymbol{E}_{\boldsymbol{x}}=e\left(n \mu_{\mathrm{e}}+p \mu_{\mathrm{h}}\right) \boldsymbol{E}_{\boldsymbol{x}}
J x = σ E x = e ( n μ e + p μ h ) E x
Longitudinal resistivity: ρ = 1 / σ \rho=1 / \sigma ρ = 1 / σ
The Hall coefficient:
R H = E y J x B = p μ h 2 − n μ e 2 e ( p μ h + n μ e ) 2 R_H=\frac{E_y}{J_x B}=\frac{p \mu_h^2-n \mu_e^2}{e\left(p \mu_h+n \mu_e\right)^2}
R H = J x B E y = e ( p μ h + n μ e ) 2 p μ h 2 − n μ e 2
If electron is the dominant carrier in the material, then we have:
ρ = 1 / σ = ( e n μ e ) − 1 , and R H = − 1 n e \rho=1 / \sigma=\left(e n \mu_{\mathrm{e}}\right)^{-1}, \text { and } R_H=-\frac{1}{n e}
ρ = 1 / σ = ( e n μ e ) − 1 , and R H = − n e 1
Carrier density: n = − ( e R H ) − 1 n=-\left(e R_{\mathrm{H}}\right)^{-1} n = − ( e R H ) − 1 , and the mobility: μ e = − R H / ρ \mu_{\mathrm{e}}=-R_{\mathrm{H}} / \rho μ e = − R H / ρ
Excitons : electron and hole bound together like a hydrogen atom, Hamiltonian of exciton
H = − h 2 2 m e ∗ ∇ e 2 − h 2 2 m h ∗ ∇ h 2 + V ( r e ) + V ( r h ) − e 2 4 π ε 0 ε r ∣ r e − r h ∣ \mathrm{H}=-\frac{\mathrm{h}^2}{2 \mathrm{~m}_{\mathrm{e}}^*} \nabla_{\mathrm{e}}^2-\frac{\mathrm{h}^2}{2 \mathrm{~m}_{\mathrm{h}}^*} \nabla_{\mathrm{h}}^2+\mathrm{V}\left(\mathrm{r}_{\mathrm{e}}\right)+\mathrm{V}\left(\mathrm{r}_{\mathrm{h}}\right)-\frac{\mathrm{e}^2}{4 \pi \varepsilon_0 \varepsilon_{\mathrm{r}}\left|\mathrm{r}_{\mathrm{e}}-\mathrm{r}_{\mathrm{h}}\right|}
H = − 2 m e ∗ h 2 ∇ e 2 − 2 m h ∗ h 2 ∇ h 2 + V ( r e ) + V ( r h ) − 4 π ε 0 ε r ∣ r e − r h ∣ e 2
Exciton energy:
E = E g + h 2 K 2 2 M − 13.6 μ n 2 m 0 ε r 2 ( e V ) E=E_g+\frac{\mathrm{h}^2 \mathrm{~K}^2}{2 M}-13.6 \frac{\mu}{\mathrm{n}^2 \mathrm{~m}_0 \varepsilon_r^2}(\mathrm{eV})
E = E g + 2 M h 2 K 2 − 1 3 . 6 n 2 m 0 ε r 2 μ ( e V )
where E g E_{\mathrm{g}} E g is bandgap energy, n = 1 , 2 , 3 … n=1,2,3 \ldots n = 1 , 2 , 3 … ;
M = m e ∗ + m h ∗ total mass; ℏ K center of mass momentum; μ = m e ∗ m h ∗ / ( m e ∗ + m h ∗ ) reduced mass; \begin{aligned}
M & =m_{\mathrm{e}} *+m_{\mathrm{h}} * \text { total mass; } \hbar \mathbf{K} \text { center of mass momentum; } \\
\mu & =m_{\mathrm{e}} * m_{\mathrm{h}} * /\left(m_{\mathrm{e}} *+m_{\mathrm{h}} *\right) \text { reduced mass; }
\end{aligned}
M μ = m e ∗ + m h ∗ total mass; ℏ K center of mass momentum; = m e ∗ m h ∗ / ( m e ∗ + m h ∗ ) reduced mass;
the last term, without "-" sign, is the exciton binding energy.
Bohr radius of exciton:
a_B=\frac{\varepsilon_r m_0}{\mu} a_0 \quad\left(a_0=0.529 \AA\right)
For semiconductors, a B a_B a B is in a few nm to a few 10 − n m 10-\mathrm{nm} 1 0 − n m
Excitons in 2D materials
E ( 2 D ) = E g − 13.6 μ ( n − 1 / 2 ) 2 m 0 ε r 2 ( e V ) n = 1 , 2 , 3 , … E^{(2 D)}=E_g-13.6 \frac{\mu}{(\mathrm{n}-1 / 2)^2 \mathrm{~m}_0 \varepsilon_r^2}(\mathrm{eV}) \quad n=1,2,3, \ldots
E ( 2 D ) = E g − 1 3 . 6 ( n − 1 / 2 ) 2 m 0 ε r 2 μ ( e V ) n = 1 , 2 , 3 , …
Binding energy of excitons:
E b ( 2 D ) = 54 μ m 0 ε r 2 ( e V ) E_b^{(2 D)}=54 \frac{\mu}{\mathrm{~m}_0 \varepsilon_r^2}(\mathrm{eV})
E b ( 2 D ) = 5 4 m 0 ε r 2 μ ( e V )
The relative dielectric constant of a 2D semiconductor is much less than the value of its 3D bulk.
For example, for monolayer M o S 2 , ε r ≈ 4.2 \mathrm{MoS}_2, \varepsilon_{\mathrm{r}} \approx 4.2 M o S 2 , ε r ≈ 4 . 2 , whereas for 3D M o S 2 \mathrm{MoS}_2 M o S 2 bulk it is about 14.
Consequently, the exciton binding energy in a 2D semiconductor can be quite large.
For 2D M o S 2 , E b ∼ 1 e V \mathrm{MoS}_2, E_{\mathrm{b}} \sim 1 \mathrm{eV} M o S 2 , E b ∼ 1 e V , while E b ∼ 0.1 e V E_{\mathrm{b}} \sim 0.1 \mathrm{eV} E b ∼ 0 . 1 e V in 3D bulk.