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3 Atomic Matter Slides
3 Atomic Matter Slides
3 Atomic Matter Slides
Atomic Matter
SIF1004:Modern Physics
Bohr’s model of the atom
Structure of the Atom
• Pieces of evidence that scientists had in 1900 to indicate that the atom was not a
fundamental unit:
1) There seemed to be too many kinds of atoms, each belonging to a distinct chemical
element.
2) The problem of valence. Certain elements combine with some elements but not with
others, a characteristic that hinted at an internal atomic structure.
3) The discoveries of radioactivity, of x rays, and of the electron.
Thomson’s Atomic Model
Thomson’s “plum‐pudding” model of the atom had the positive charges
spread uniformly throughout a sphere the size of the atom, with
electrons embedded in the uniform background.
In Thomson’s view, when the atom was heated (with kinetic energy),
the electrons could vibrate about their equilibrium positions (simple
harmonic oscillation around the center of the sphere), thus producing
electromagnetic radiation.
Radius of an Atom:
.
The number of atoms in gold :
Assume the distance between atoms is
.
.
Experiments of Geiger and Marsden
*Rutherford, Geiger, and Marsden
conceived a new technique for
investigating the structure of matter by
scattering particles from atoms.
Geiger showed that some particles were
scattered from thin gold‐leaf targets at
backward angles greater than 90°.
• The maximum scattering angle corresponding to the maximum momentum
change.
• Maximum momentum change of the α particle is
or
• Determine θ by letting Δpmax be perpendicular to the direction of motion.
Small deflection
angle
Multiple Scattering from Electrons
• If an α particle were scattered by many electrons and N electrons results in
.
• The number of atoms across the thin gold layer of 6 × 10−7 m:
• Assume the distance between atoms is
and there are .
That gives .
The deflection angle is still small
Rutherford’s Atomic Model
even if the α particle scattered from all 79 electrons in
each atom of gold.
The positive charge is concentrated in
a nucleus with a radius much smaller than 10‐10 m
Rutherford Scattering
Scattering experiments help to study matter too small to be
observed directly.
There is a relationship between the impact parameter b and the
scattering angle θ.
When b is small,
r gets small.
Coulomb force gets large.
θ can be large and the particle can be repelled backward.
Rutherford Scattering
• Any particle inside the circle of area πb02 will be similarly scattered.
• The number of scattering nuclei per unit area .
• The fraction of incident particles scattered is
f = ntA/A
The Classical Atomic Model
• Consider an atom as a planetary system.
• The Newton’s 2nd Law force of attraction on the
electron by the nucleus is:
1 e 2 mv 2
Fe
4 0 r 2 r
where v is the tangential velocity of the electron:
v
e e2
K mv
1 2 1
4 0 mr 2 2
4 0 r
• Define potential energy, V = 0 when the electron is infinitely distant from the
nucleus.
Negative means the system is bound,
Coulomb force is attractive
The total energy is then:
The Planetary Model is Unstable
• From classical E&M theory, an accelerated electron radiates energy (electromagnetic
radiation) which means the mechanical energy decreases, r decreases, the electron will spiral
into the nucleus!!
Electron crashes into the nucleus!
• Physics had reached a turning point in 1900 with Planck’s hypothesis of the quantum
behavior of radiation.
The Bohr Model of the Hydrogen Atom
Niels Bohr’s general assumptions: n=1
n=2
1) “Stationary states” (orbiting electrons do not
radiate energy) exist in atoms and have well‐
defined energies, En.
2) Transitions can occur between them, yielding
E = E1 − E2 = hf. Classical laws of physics do
not apply to transitions between stationary
states.
3) The angular momentum of the nth state is
quantized, where n is
called the Principal Quantum Number. n=3
n = 1,2,3,…
Consequences of the Bohr Model
•The angular momentum is:
L mvr n
So the velocity is: v n / mr
e n2 2 e2 a0
But: v So:
4 0 mr 2 2
mr 4 0 mr
4 0 2
Solving for rn: rn n a0
2
where: a0
me 2
a0 is called the Bohr radius. It’s the diameter of the Hydrogen atom (in its
lowest‐energy, or “ground,” state).
Bohr Radius
• The diameter of the hydrogen atom for stationary states is
Where the Bohr radius is given by
• The smallest diameter of the hydrogen atom is
• n = 1 gives its lowest energy state (called the “ground” state)
The Hydrogen Atom Quantization of
total energy
• The energies of the stationary states
where E0 = 13.6 eV.
Outer shell, valence shell
• The atom will remain in the
excited state for a short time
before emitting a photon and
returning to a lower stationary
state. All hydrogen atoms exist in
n = 1 (invisible).
The Hydrogen Atom
• Application of the Schrödinger Equation to the Hydrogen
Atom
• Solution of the Schrödinger Equation for Hydrogen
• Quantum Numbers
• Energy Levels and Electron Probabilities
The atom of modern physics can be symbolized only through a partial differential
equation in an abstract space of many dimensions. All its qualities are inferential; no
material properties can be directly attributed to it. An understanding of the atomic
world in that primary sensuous fashion…is impossible.
‐ Werner Heisenberg
General flow:
Start with Schrodinger equation in 3‐D
Identify the potential energy: eg.
Solve & find the wave functions: Quantum Numbers (n, ℓ, mℓ)
Compute the energy levels:
Draw the probability distribution function:
Orthogonal Coordinate Systems
• An orthogonal system is one in which the coordinates are mutually
perpendicular.
• Examples of orthogonal system:
• 1. Cartesian coordinates (x, y, z)
• 2. Circular cylindrical coordinates ( , , z)
• 3. Spherical coordinates (r, , )
• Choosing a coordinate system that best fits a given problem.
Application of the Schrödinger Equation to the
Hydrogen Atom
The approximation of the potential energy of the electron‐proton system is
electrostatic:
Rewrite the three‐dimensional time‐independent Schrödinger Equation.
For Hydrogen‐like atoms (He+ or Li++)
Replace e2 with Ze2 (Z is the atomic number).
Use appropriate reduced mass
∑
Application of the Schrödinger Equation
• The potential (central force) V(r) depends on the distance r between the
proton and electron.
Transform to spherical polar
coordinates because of the
radial symmetry.
Insert the Coulomb potential
into the transformed
Schrödinger equation.
Equation 1
Application of the Schrödinger Equation
• The wave function is a function of , , .
Equation is separable.
Solution may be a product of three functions.
Equation 2
• We can separate Equation 1 into three separate differential equations,
each depending on one coordinate: r , , or
Solution of the Schrödinger Equation for Hydrogen
• Substitute Eq (2) into Eq (1) and separate the resulting equation into three
equations: , , and .
Separation of Variables
• The derivatives from Eq (2)
• Substitute them into Eq (1)
• Multiply both sides by 2 sin2 /
Equation 3
Solution of the Schrödinger Equation
• Only r and θ appear on the left side and only appears on the right side of Eq
(3)
• The left side of the equation cannot change as changes.
• The right side cannot change with either r or θ.
• Each side needs to be equal to a constant for the equation to be true.
Set the constant −mℓ2 equal to the right side of Eq (3)
‐‐‐‐‐‐‐‐ azimuthal equation Equation 4
• It is convenient to choose a solution to be .
Solution of the Schrödinger Equation
• satisfies Eq (4) for any value of mℓ.
• The solution must be single valued in order to have a valid solution for
any , which is 2
• mℓ to be zero or an integer (positive or negative) for this to be true.
• If Eq (4) were positive, the solution would not be normalized.
Solution of the Schrödinger Equation
• Set the left side of Eq (3) equal to −mℓ2 and rearrange it.
Equation 5
Solution of the Schrödinger Equation
• Set each side of Eq (5) equal to constant ℓ ℓ .
‐‐‐‐Radial equation
Equation 6
‐‐‐‐Angular equation
Equation 7
• Schrödinger equation has been separated into three ordinary second‐order
differential equations [Eq (4), (6), and (7)], each containing only one
variable.
Solution of the Radial Equation
• The radial equation is called the associated Laguerre equation and the
solutions R that satisfy the appropriate boundary conditions are called
associated Laguerre functions.
• Assume the ground state has ℓ = 0 and this requires mℓ = 0.
Eq (6) becomes
• The derivative of yields two terms and V is the Coulomb potentials.
Write those terms:
Equation 8
Solution of the Radial Equation
• Try a solution
A is a normalized constant.
a0 is a constant with the dimension of length.
Take derivatives of R and insert them into Eq (8).
Equation 9
Set the first parentheses equal to zero and solve for E.
Both equal to the Bohr result.
Quantum Numbers (n, ℓ, mℓ)
• The appropriate boundary conditions to Eq (6) and (7) leads to the
following restrictions on the quantum numbers ℓ and mℓ:
• ℓ = 0, 1, 2, 3, . . .
• mℓ = −ℓ, −ℓ + 1, . . . , −2, −1, 0, 1, 2, . ℓ . , ℓ − 1, ℓ
• |mℓ| ≤ ℓ and ℓ < 0.
• The predicted energy level is
n = 1,2,3…..
n > l
Hydrogen Atom Radial Wave Functions
• First few radial wave functions Rnℓ
Table 1
‐‐‐‐ spherical harmonics
Normalized Spherical Harmonics
Solution of the Angular and Azimuthal Equations
• The radial wave function R and the spherical harmonics Y
determine the probability density for the various quantum states.
The total wave function , , depends on , ℓ, and ℓ. The
wave function becomes
Quantum Numbers
The three quantum numbers:
• n Principal quantum number
• ℓ Orbital angular momentum quantum number
• mℓ Magnetic quantum number
The boundary conditions:
• n = 1, 2, 3, 4, . . . Integer
• ℓ = 0, 1, 2, 3, . . . , n − 1 Integer
• mℓ = −ℓ, −ℓ + 1, . . . , 0, 1, . . . , ℓ − 1, ℓ Integer
The restrictions for quantum numbers:
• n > 0
• ℓ < n
• |mℓ| ≤ ℓ
Principal Quantum Number n
• It results from the solution of R(r) in Eq (2) because R(r) includes the
potential energy V(r).
The result for this quantized energy is
• The negative means the energy E indicates that the electron and proton
are bound together.
Radial probability density
Radial probability density
r 2 Rnl2 ( r )
1s 1 0 1.5 n2ao
2s 2 0 6.0
2p 2 1 5.0
3s 3 0 13.5
r d 3r nlm
*
(r )r nlm (r )
dr r 3 Rnl r
2
0
Shapes of the spherical harmonics
x
Re[Y11 ] l 1, m 0
l 0, m 0
3
1 Y10 cos
Y00 4
4
l 1, m 1
3
Y11 sin exp(i )
8
(Images from http://odin.math.nau.edu/~jws/dpgraph/Yellm.html)
Shapes of spherical harmonics (2)
x Re[Y22 ] Re[Y21 ]
l 2, m 0
5
Y20 (3cos 2 1)
16
l 2, m 2 l 2, m 1
15 15
Y22 sin 2 exp(2i ) Y21 sin cos exp(i )
32 8
(Images from http://odin.math.nau.edu/~jws/dpgraph/Yellm.html)
Orbital Angular Momentum Quantum Number ℓ
• It is associated with the R(r) and f(θ) parts of the wave function.
• Classically, the orbital angular momentum with L =
mvorbitalr.
• ℓ is related to L by .
• In an ℓ = 0 state, .
It disagrees with Bohr’s semiclassical “planetary” model of electrons
orbiting a nucleus L = nħ.
Orbital Angular Momentum Quantum Number ℓ
• A certain energy level is degenerate with respect to ℓ when the energy is
independent of ℓ.
• Use letter names for the various ℓ values.
• ℓ = 0 1 2 3 4 5 . . .
• Letter = s p d f g h . . .
• Atomic states are referred to by their n and ℓ.
• A state with n = 2 and ℓ = 1 is called a 2p state.
• The boundary conditions require n > ℓ.
Classical angular momentum
For a classical particle, the angular momentum is
defined by L
L rp
p
Lx i Ly j Lz k
r
In components F
Lx ypz zp y
Ly zpx xpz
Same origin for r and F
Lz xp y ypx
Angular momentum is very important in problems dL d dr dp
(r p) p r ×
involving a central force (one that is always directed dt d t dt dt
towards or away from a central point) because in that p
case it is conserved ( p) (r F ) 0.
m
Magnetic Quantum Number mℓ
• The angle is a measure of the rotation about the z axis.
• The solution for specifies that mℓ is an integer and related to the z
component of L.
A given quantum number l determines the z
magnitude of the vector L via
L2 l (l 1) 2
L l (l 1)
L
The z‐component can have the 2l+1 values
θ
corresponding to
Lz m, l m l
In the vector model this means that only particular
special angles between the angular momentum
vector and the z‐axis are allowed
Magnetic Quantum Number mℓ
• Quantum mechanics allows to be quantized along
only one direction in space. Because of the relation
2 2 2 2 the knowledge of a second
component would imply a knowledge of the third
component because we know .
• We expect the average of the angular momentum
components squared to be
3
3 1
2 1
Energy Levels and Electron Probabilities
• The energy levels of an hydrogen atom according to the principle quantum number
& ℓ:
In ground state an atom cannot emit
radiation. It can absorb
electromagnetic radiation, or gain
energy through inelastic
bombardment by particles.
Selection Rules
• We can use the wave functions to calculate transition probabilities for
the electron to change from one state to another.
Allowed transitions:
• Electrons absorbing or emitting photons to change states when Δℓ = ±1.
Forbidden transitions:
• Other transitions possible but occur with much smaller probabilities
when Δℓ ≠ ±1.
Probability Distribution Functions
• We must use wave functions to calculate the probability distributions
of the electrons.
• The “position” of the electron is spread over space and is not well
defined.
• We may use the radial wave function R(r) to calculate radial probability
distributions of the electron.
• The probability of finding the electron in a differential volume element
dτ is .
Probability Distribution Functions
• The differential volume element in spherical polar coordinates is
Therefore,
• We are only interested in the radial dependence.
• The radial probability density 2| |2 and it depends only
on and .
Probability Distribution Functions
R(r) and P(r) for the lowest-lying states of the
hydrogen atom.
Probability Distribution Functions
• The probability density for the hydrogen atom for three different
electron states.
Electron Spin
• Electrons have spin with values of s
• Like orbital angular momentum, spin angular momentum is also
quantized, thus:
1
2
• With it’s magnitude given by:
1 1 3
1
2 2 4
Spin‐Orbit Coupling
• Interaction energy can be expressed in terms of a the scalar product
of the angular‐momentum vectors and → spin‐orbit coupling
• Define the total angular momentum
• We can then have states in which , corresponding to
whether and S have parallel z‐components or not
• E.g. For 1, or → in spectroscopic nota on, these states
are labeled 2P1/2 and 2P3/2 , respectively, with P indicating 1
Pauli Exclusion Principle and Many e‐ Atoms
• This principle applies not only to electrons but also to protons and
neutrons, all of which have spin, s=½. The principle is known as the Pauli
exclusion principle after Wolfgang Pauli, who formulated it in 1925
• For many‐electrons atoms, no two electrons in an atom can have the same
values for all quantum numbers ( , , , )
• Each quantum state corresponds to a certain distribution of the electron
“cloud”
Spin‐Orbit Coupling
Spin‐Orbit Coupling
The Periodic Table
• Applying the exclusion principle, construct an imaginary atom of bare
nucleus with Z protons, then adding Z electrons
• For the ground state, we fill the lowest‐energy electrons states first,
then successively higher states until all electrons are in place
• The chemical properties of an atom are determined by the interaction
of the outermost (valence) electrons, allowing us to construct the
periodic table
• E.g.
• He ( 2): 1; 0, ;
• Li ( 3): 1,2; 0,1; ,
Many e‐ Atoms
Characteristic X‐Ray
Spectra and Atomic
Number
Shells have letter names:
K shell for n = 1
L shell for n = 2
The atom is most stable in its
ground state.
An electron from higher
shells will fill the inner‐shell vacancy at lower energy.
When it occurs in a heavy atom, the radiation emitted is an X‐ray.
It has the energy E (X-ray) = Eu − Eℓ.
Atomic Number
K K
and Moseley
The X‐rays have names:
L shell to K shell: Kα X‐ray
M shell to K shell: Kβ X‐ray
etc.
G.J. Moseley studied X‐ray
emission in 1913.
Atomic number Z = number of protons in the nucleus.
Moseley found a relationship between the frequencies of the
characteristic X‐ray and Z.
3cR
Moseley found this relation
holds for the Kα X‐ray: K ( Z 1) 2
4
Moseley’s Empirical Results
• In general, the K series of X‐ray wavelengths are
Moseley’s research clarified the importance of the electron shells for all the elements, not
just for hydrogen.
Atomic Bonding: Ionic
• Between 2 charged/ionized
atoms
• e.g. NaCl
• Na gives one 3s e‐ (EreqNa = 5.138
eV)
• Cl receives one 3p e‐ (EreqCl = 3.163
eV)
•Δ 1.525
eV
• ∃ a minimum for NaCl
bonding = ‐5.7 eV at 0.24
nm
Atomic Bonding: Covalent
• Attraction supplied by a pair of
electrons (c.f. Pauli)
• Charge clouds concentrated
primarily in the region between
the two molecules
• Due to exclusion principle, it is
highly directional
• E.g. 2, one atom provides one
, with 4.48 eV
Atomic Bonding: van der Waals and Hydrogen
van der Waals Hydrogen
• Interaction between electric • Created by proton (H ion)
dipole moments of atoms or between 2 atoms
molecules • Polarization induces dipoles to
• 0.1 eV form, attracting them to H ion
• Attraction drops of quickly ∝ • 0.5 eV
Crystal Structure
• Crystal lattice: repeating mathematical points that extends
throughout space
• 14 types (examples next slide)
• In a crystal structure, a single atom or group of atoms is associated
with each lattice point
• This atom/group of atoms is called a basis
• E.g. NaCl = fcc crystal
• Crystals with defects = polycrystals
Crystal structure
Conduction of Electricity in Solids
The Electrical Properties of Solids:
Figure
Energy Levels in a Crystalline Solid:
Figure
When we bring two sodium atoms
together, the 3s energy level splits
into two separate energy levels.
Overlapping levels
Outer levels begin to interact
Individual atoms
Electron energy
Simplify energy levels of an atom and energy
bands in solids
Figure
In the discussion of the electrical properties of solid materials, what is
a band?
e) the class of electrical materials the solid falls into, such as metal,
semiconductor, etc.
In the discussion of the electrical properties of solid materials, what is
a band?
e) the class of electrical materials the solid falls into, such as metal,
semiconductor, etc.
Conduction band: Conduction
Empty band
band
First empty band above
the highest filled band
Bandgap
Electron
energy Outermost
band Valence band
Valence band: Partially full containing
elelectrons
Outermost band Bandgap
containing electrons Full
Bandgap
Full
nucleus
Conductor Semiconductors Insulators
• Outermost band not • Similar to insulators • Valence band full or
completely filled but narrow band gap nearly full
• Essentially no band • Wide band gap with
gap, band overlap empty conduction
band
Metallic Conductor Semi Conductor Insulator
Empty
bands
filled
bands
Which of the following features most closely defines a metal?
a) The energy bands are much larger than the gaps between them.
b) The band gap between the highest occupied level and the next free
level is small.
c) The highest occupied level falls near the middle of an energy band.
a) The energy bands are much larger than the gaps between them.
b) The band gap between the highest occupied level and the next free
level is small.
c) The highest occupied level falls near the middle of an energy band.
a) The energy gap between the conduction band and the valence band
is larger for insulators.
b) The energy gap between the conduction band and the valence band
is smaller for insulators.
a) The energy gap between the conduction band and the valence band
is larger for insulators.
b) The energy gap between the conduction band and the valence band
is smaller for insulators.
a) 13.1 eV
a) 13.1 eV
a) Feynman
b) Bohr
c) Maxwell
d) Einstein
e) Fermi
At absolute zero, electrons occupy energy levels up to a certain energy.
Which famous physicist is this energy named after?
a) Feynman
b) Bohr
c) Maxwell
d) Einstein
e) Fermi
Metals: How Many Conduction Electrons Are There?
The number density n of conduction electrons in a sample is the
number of conduction electrons per unit volume:
Example, Number of conduction electrons in a metal:
Given that magnesium has mass density of 1.738 g/cm3 and molar mass of 24.312 g/mol.
Calculate how many conduction electrons are in a cube of magnesium of volume 2.00 x 10‐6
m3. Magnesium atoms are bivalent.
Metals: Density of States
Example, Number of states per electron volt in a metal:
Metals: The Occupancy Probability P(E):
Metals: How Many Occupied States Are There?
Fig. 41-8 (a) The density of occupied states No(E) for copper at absolute zero. The area under the curve is the number density of electrons n. Note
that all states with energies up to the Fermi energy EF =7 eV are occupied, and all those with energies above the Fermi energy are vacant. (b) The
same for copper at T =1000 K. Note that only electrons with energies near the Fermi energy have been affected and redistributed.
Example, Probability of occupancy of an energy state in a metal :
Example, Number of occupied states in an energy range in a metal:
Metals: Calculating the Fermi Energy:
Fig. 41-9 (a) The band–gap pattern for a semiconductor. It resembles that of an
insulator except that here the energy gap Eg is much smaller; thus electrons,
because of their thermal agitation, have some reasonable probability of being able
to jump the gap. (b) Thermal agitation has caused a few electrons to jump the gap
from the valence band to the conduction band, leaving an equal number of holes in
the valence band.
Semiconductors: Temperature Coefficient of Resistivity:
The resistivity of copper increases with temperature (that is, d/dT >0) because
collisions of copper’s charge carriers occur more frequently at higher
temperatures. This makes positive for copper. The collision frequency also
increases with temperature for silicon.
Aluminium atom
Phosphorus atom
Doped Semiconductors:
Ecp eV0
Ecn
Efp
Efn
Evp
Evn
-
W +
- Depletion width
+
-
p + n
- Direction of built-in field
+
-
+
-
+
-
Space-charge layers
Energy band diagram for p-n junction – applied forward bias
Ecp eV
Ecn
Efp
Efn
Evp
Evn
Depletion width reduced
Built-in field reduced
Apply small V to get diffusion Barrier height reduced
Diffusion current increased
+ -
-
W + If Vforward = V0
- Depletion width
+ No barrier
-
p + n
- Direction of built-in field Pass large
+ current in one
-
+ direction
-
+
-
Space-charge layers
Energy band diagram for p-n junction – applied reverse bias
Ecp eV
Evp
Ecn
Depletion width increased
Built-in field increased
Barrier height increased Evn
- +
-
W + Becomes
- Depletion width
Capacitor
+
-
p + n No current
- Direction of built-in field passed
+
-
+
-
+
-
Space-charge layers
The Junction Rectifier:
a) a-type
b) f-type
c) m-type
d) n-type
e) p-type
What type of semiconductor is made by adding impurity atoms that
contribute mobile positive holes?
a) a-type
b) f-type
c) m-type
d) n-type
e) p-type
The Junction Rectifier, An Example:
The Light-Emitting Diode (LED):
The Junction
Photodiode Laser
A p‐n junction can act as a
junction laser, where its light
output being highly coherent
and much more sharply defined
in wavelength than light from an
LED.
Shining light on a suitably arranged
p‐n junction can produce a current
in a circuit that includes the
junction. This is the basis for the
photodiode.
Example, Light Emitting Diode (LED):
The Transistor:
A transistor is a three-terminal semiconducting device that can be used to amplify input signals.
• Types
• p‐n‐p
• n‐p‐n
• No current in left loop:
• only small current passing through resistor R
• Forward bias in left loop (from emitter to
base):
• most holes travelling from emitter to base travel
through the base to the second junction
• Comes into the influence of the collector‐to‐base
potential difference, creating current through R
• The collector current is controlled by the emitter
current
• If , power dissipated in R is much larger
than the power supplied by the emitter circuit →
power amplifier
• Types
• p‐n‐p
• n‐p‐n
• No current in left loop:
• only small current passing through resistor R
• Forward bias in left loop (from emitter to
base):
• most holes travelling from emitter to base travel
through the base to the second junction
• Comes into the influence of the collector‐to‐base
potential difference, creating current through R
• The collector current is controlled by the emitter
current
• If , power dissipated in R is much larger
than the power supplied by the emitter circuit →
power amplifier
Which one of the following devices converts an ac voltage signal into
a dc voltage?
a) solar cell
b) transistor
c) rectifier circuit
d) generator
e) heterodyne detector
Which one of the following devices converts an ac voltage signal into
a dc voltage?
a) solar cell
b) transistor
c) rectifier circuit
d) generator
e) heterodyne detector