Ch5. Quantum Mechanics

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Ch5.

Quantum Mechanics
Introduction
Bohr’s atomic model 雖然成功的解釋了氫原子的行為,但對於多電子原子卻無法解釋。
另外,Bohr theory cannot explain why certain spectral lines are more
intense than others.
所以一個完整且全面的理論是必要的。自 1925 年以後由 Schrodinger, Heinsenberg,
Born, Dirac 等人建立了一套完整的理論,稱為”quantum mechanics”量子力學,這可
以說是替近代物理立下了一塊最重要的里程碑。
Classical mechanics is an approximation of quantum mechanics. According
to Bohr theory, the radius of the electron’s orbit in a ground state
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hydrogen atom is always exactly 5.3x10 m, but quantum mechanics states
that this is the “most probable” radius.

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Wave Function Ψ
Ψ = Ψ ( x, y, z , t ) = Ψ ( r ,t ) Ψ 本身並無任何物理意義,只有 Ψ 才有。
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1. o

Ψ 通常為複數,即 Ψ = A + iB , Ψ = Ψ *Ψ = ( A − iB )( A + iB ) = A2 + B 2 。
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2.
Ψ is proportional to the probability density P of finding the body
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3.
described by Ψ 。It is usually convenient to have Ψ
2
be equal to the
probability density P. So
∞ ∞
Ψ
If ∫ Ψ dx = A , let Ψ'= → ∫ Ψ ' dx = 1
2 2

-∞ A -∞
,則 Ψ ' is said to be normalized.

4. For a particle restricted to motion in the x direction, the


probability of finding it between x1 and x2 is given by
x2
P ( x1 < x < x2 ) = ∫ Ψ dx , if Ψ is normalized
2
x1

2
x2
∫ Ψ dx
2

<x<x )= , if Ψ is not normalized


x1
P ( x1 2 ∞
∫ Ψ dx
2
−∞

Well-Behaved Wave Function


Wave function looks like this:
∂2Ψ 1 ∂2Ψ
= 2 2
∂x 2
v ∂t
為了讓 Ψ 能符合實際的物理意義,則 a well-behaved wave function must obey:
1. Ψ must be continuous and single-valued everywhere.
2. ∂Ψ / ∂x, ∂Ψ / ∂y, ∂Ψ / ∂z must be continuous and single-valued
everywhere.
3. Ψ must be normalizable, which means that Ψ must go to zero as
x, y, z → ±∞ in order that ∫ Ψ dv over all space be a finite constant.
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Schrodinger Equation: A basic physical principle that cannot be derived
from anything else.
基本上 Schrodinger Eq. 也屬於 wave function ( in a different form)

Time dependent Schrodinger Equation :TDSE

i=
∂Ψ
=−
= 2  ∂ 2Ψ ∂ 2Ψ ∂ 2Ψ 
+ + + Ψ = −
= 2
∇ 2
Ψ +UΨ
 2 2 
U
∂t 2m  ∂x ∂y 2
∂z  2m
where U = potential energy of the particle
1. 上述式子並未將相對論效應考慮進去。
2. 雖然有一些非正式的方法可以間接的推導出上式,但嚴格來說這些 approach 都是不對
的 。 Newton’s laws of motion were not derived from any other
principles. Schrodinger Eq. cannot be derived from other basic
principles of physics either. It is a basic principle itself.

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3. 基本上 Schrodinger Eq. 代表了能量守恆定律 (不包含靜止質能) ; 即
總能量 E = 動能 KE + 位能 U

p2
⇒ EΨ = +UΨ
2m
E, p, U 各自有其對應的 operator(稍後會介紹)。

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Linearity and Superposition
觀察 Schrodinger equation,可知它滿足 linearity, 即

An equation that has terms contains Ψ and its derivative but no terms
independent of Ψ or that involve higher power of Ψ or its derivatives
is a linear equation.
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Diffraction of a electron beam

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The two terms at the right of this equation represent the difference
between Fig.(d) and (e) and are responsible for the oscillations of the
electron intensity at the screen.

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Expectation Values: How to extract information from a wave
function
What is the average position <x> of a number of identical particles
distributed along the x axis in such a way that there are N1 particles
at x1, N2 particles at x2, and so on?

< x >=
N1 x1 + N 2 x2 + N 3 x3 +
=
∑N x
i i

N1 + N 2 + N 3 + ∑N i

If there is only one particle, then



質點落在 x − dx / 2 到 x + dx / 2 的機率為 p ( x)dx ,且 ∫ p ( x)dx = 1,所以
−∞

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Example
A particle limited to the x axis has the normalized wave function Ψ =
ax between x = 0 and x = 1; Ψ = 0 elsewhere. (a) Find the probability
that the particle can be found between x = 0.45 and x = 0.55. (b) Find
the expectation value <x> of the particle’s position.
Sol:

基本上在量子力學中要計算能量、動量、位置等期望值時,由於必須符合測不準原理的精神,
我們必須要從 operator 運算的方式來求,即

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< G ( x) >= ∫ Ψ GΨdx*
−∞
在 quantum mechanics 中會使用到的 operator 如下表:

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Operator 作用在 Ψ 的順序很重要

Schrodinger Equation: Steady State form


當 U = U(x),即 U 不隨時變時,可經證明推導出 TDSE 之解可寫成:

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Eigenvalue and Eigenfunction
事實上 90%的量子問題都可藉由解 TISE 而得到。

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Example
eigenfunction of the operator d /dx is Ψ = e . Find the corresponding
2 2 2x
An
eigenvalue.
Sol:

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Particle in a Box: How boundary conditions and normalization
determine wave functions
A particle with energy E is trapped in a box with infinitely hard walls.
Our task is to find what Ψ is within the box.

分析

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此與之前使用物質波 λ = p h 與共振現象所得到的結果相同!!

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A particle in the lowest energy level of n = 1 is most likely to be in
the middle of the box, while a particle in the next higher state of n
= 2 is never there!
Classical physics, of course, suggests the same probability for
particle being anywhere in the box. (事實上當 n 趨於無窮大時,量子理論與古
典力學的結果將一致,這正符合了 Bohr 的 correspondence principle!)

Example
Find the probability that a particle trapped in a box L wide can be found
between 0.45L and 0.55L for the ground and first excited states.
Sol:

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Example
Find the expectation value <x> of the position of a particle trapped

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in a box L wide.
Sol:

The particle is moving back and forth, and so its average momentum is
zero.

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Finite Potential Well : The wave function penetrates the walls, which
lowers the energy levels

A finite potential well can serve as an approximation for, say, a neutron


in a nucleus.

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Finite potential well problem 並無解析解,只有數值解。

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The Ψ
2
is not zero beyond the walls means that the particle can
sometimes be found outside the wall. The particle can spend some time
outside the wall, where E < U0 。
會有與古典力學不同的結果是歸根於 The Uncertainty Principle

∆E ∆t ≥
=
2
It tells us that the energy is uncertain, and thus can even be

nonconserved, by an amount ∆E for very short time ∆t ∼


=
2∆E
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Quantum Well Heterostructures

Quantum well structures play an important role in the design of a variety


of high-technology semiconductor devices, such as quantum well laser
and photodetector.

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左上圖為當 E > U0 時的結果。而右上圖則為 two-potential well problem 的結果。

Three-dimensional Infinite Potential

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Example
Consider a free particle inside a box with lengths L1, L2 and L3 along
the x, y, and z axes, respectively. The particle is constrained to be
inside the box. Find the wave functions and energies. Then find the ground
energy and wave function and the first excited state energy for a cube
of sides L.
Sol:

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Quantum Tunneling: A particle without the energy to pass over
a potential barrier may still tunnel through it. (詳細計算請參考課本

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Appendix)

Single Barrier

2m(U − E )
Assume E < U , T ~ exp(-2k2L), k2 =
=
Example
Electrons with energies of 1.0eV and 2.0eV are incident on a barrier
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10eV high and o.5nm wide. (a) Find their respective transmission
probabilities. (b) How are these affected if the barrier is doubled in
width?
Sol:

T is very sensitive to the width of the barrier.

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1973 年日本 Esaki 就是第一個量得 tunneling current 而獲得 Nobel Prize.
Tunneling is a result of the wave properties of material particles, and
also occurs for classical waves.

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Double Quantum Barrier Structure

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Multiple Quantum Barrier (Superlattice) Structure

Applications of Tunneling
1. Tunneling diode
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2. Radioactive decay: α decay

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3. STM: Scanning tunneling electron microscope

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AFM: Atomic force microscope

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Harmonic Oscillator: Its energy levels are evenly spaced
在大自然中如 spring, diatomic molecule oscillation, pendulum, or an atom
in a crystal lattice 等,any system in which something executes small
vibration about an equilibration position behaves very much like a simple
harmonic oscillator.

Any restoring force which is a function of x can be expressed in a


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Maclaurin’s series about the equilibrium position x = 0 as

負號代表為吸引的力量!

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討論
1. The allowed energies will not form a continuous spectrum but
instead a discrete spectrum of certain specific values only.

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2. The lowest allowed energy will not be E = 0 but will be some definite
minimum E = E0 =nf/2 = zero point energy (因測不準原理)。
3. There will be a certain probability that the particle can penetrate
the potential well it is in and go beyond the limits of –A and +A.
Ψ 0 與 classical result 剛好相反但當 n 增加時, Ψ 0 的平均值已與古典力學的結
2 2
4.
果接近,且 The experimental “tails” of Ψ 0 beyond x = ± A
2
also decrease
in magnitude with increasing n. Thus the classical and quantum
pictures begin to resemble each other more and more the larger the
value of n, in agreement with the correspondence principle, although
they are very different for small n.

Example
Find the expectation value <x> for the first two state of a harmonic
oscillator.
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Sol:

In fact , <x> = 0 for all states of a harmonic oscillator, which could


be predicted since x = 0 is the equilibrium position of the oscillator
where its potential energy is a minimum.

各種 Quantum potential well En 之比較

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