Class 7-10
Class 7-10
Exchange interaction
Coupling of magnetic moments results from the interplay of the Pauli principle with Coulomb repulsion and
electron hopping.
Classically, magnetic moments originate from electric currents: A current density generates a magnetic
moment
These moments interact via the dipole-dipole interaction. The magnetostatic interaction energy between two dipoles
at a distance being the unit-vector from the position of the first to that of the second dipole,
depends on their distance and relative orientation. This can, however, not be the origin of the magnetism found in
actual materials: In a classical system charges cannot flow in thermodynamic equilibrium, and hence there are no
magnetic moments to begin with.
In quantum mechanics, however, non-vanishing charge currents in the ground state are not uncommon: An electron
in state corresponds to a current density
According to (1) it produces a magnetic moment proportional to the expectation value of the angular momentum
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Spin interaction
Exchange interaction
Coulomb exchange: The Coulomb repulsion between electrons,
is manifestly spin-independent. Nevertheless, because of the antisymmetry of the many-electron wave function, the
eigenenergies of HU depend on the spin. This is the basis of the multiplet structure in atoms and of Hund’s first two
rules.
To understand the mechanism of this Coulomb exchange we consider a simple two-electron model.
Let us consider two orbitals α= a; b. Then the two-electron Slater determinants with spins σ and σ’. Wave function of
the 2 electrons:
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Spin interaction
Exchange interaction
Coulomb exchange:
When both electrons have the same spin (σ= σ’), we can factor out the spin functions
and obtain
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Spin interaction
Exchange interaction
Coulomb exchange:
For the states where the electrons have opposite spin (σ= - σ’),
diagonal matrix-elements
off-diagonal matrix-elements
Since HU does not change the spins, these are the only non-zero matrix elements. In the basis
of the states the Coulomb term is thus given by
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Spin interaction
Exchange interaction
Coulomb exchange:
eigenstates
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Spin interaction
Exchange interaction
Coulomb exchange:
Q. Zhang:
Calculations of Atomic Multiplets
across the Periodic Table
MSc thesis, RWTH Aachen 2014
www.cond-mat.de/sims/multiplet
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Spin interaction
Exchange interaction
Kinetic exchange:
When electron-hopping plays the main role in the exchange mechanism, we speak of kinetic exchange. In contrast
to Coulomb exchange the resulting interactions are usually antiferromagnetic, i.e., they prefer antiparallel spins. The
physical principle of kinetic exchange can be understood in a simple two-site system. We discuss this problem in
some detail and introduce two key concept along the way: down-folding and second quantization.
1. A toy model
As a toy model, we consider the minimal model of an H2 molecule. We restrict ourselves to two (orthogonal)
orbitals, and , separated by some distance. If we add an electron to the system, that electron will be able to
move between the two orbitals, with a matrix element -t. Because we allow the electron to only occupy two s-
orbitals, the Hamiltonian is a 2 x 2 matrix with the hopping matrix element as -t,
If there are two electrons in the system, i.e., one electron per orbital, we can again use basis states which just
specify, which orbitals the electrons occupy. For two electrons of opposite spin we then find two states where the
electrons are in different orbitals
“covalent states”
and two states where the electrons are in the same orbital
“ionic states”.
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Spin interaction
Exchange interaction
Kinetic exchange:
1. A toy model
In this basis the Hamiltonian matrix for our simple model of the H2 molecule has the form
As before, moving an electron to a neighboring orbital gives a matrix element -t, with an additional sign when the
order of the electrons is changed (Fermi statistics!). For the ionic states, where both electrons are in the same
orbital, we have the Coulomb matrix element U. Coulomb matrix elements involving electrons on different sites are,
for reasonably large distance between the sites, negligible. So there is no Coulomb exchange, just the local
Coulomb repulsion in our model. Diagonalizing H we find the energy spectrum and the corresponding eigenstates:
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Spin interaction
Exchange interaction
Kinetic exchange:
2. Direct exchange
The antiparallel alignment of the spins (left) is favored, since it allows the electrons to hop to the neighboring site.
For parallel spins (right) hopping is suppressed by the Pauli principle. These orbitals are typically localized d-orbitals
of transition-metals.
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Spin interaction
Exchange interaction
Kinetic exchange:
3. Super exchange
Direct exchange cannot explain the antiferromagnetism of most transition-metal compounds: Since the d-orbitals
are so localized, hopping can only occur between orbitals on different atoms that are very close to each other. But
most antiferromagnetic insulators are transition-metal oxides, so that the transition-metal cations are separated by
large oxygen anions. In such a situation, shown in figure 5, direct hopping between the d-orbitals is very unlikely.
The concept of direct exchange can, however, be extended to these cases by taking into account hopping via
the intermediate p-orbital. This mechanism is called superexchange.
&
pZ
MnO: Mn2+ are separated by O2-
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Spin interaction
Exchange interaction
Kinetic exchange:
3. Super exchange pZ
Cation A Cation B
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Spin interaction
Spin relaxation
Spin relaxation refers to processes that bring an unbalanced population of spin states into equilibrium. If, say, spin
up electrons are injected into a metal at t = 0 creating spin imbalance at a later time t = T1, the balance is restored
by a coupling between spin and orbital degrees of freedom. Spin relaxation is of paramount importance in
spintronics, since there is a serious concern for using spin polarization of either a single charge carrier or the net
spin polarization of an ensemble of charge carriers to encode and decode information. If the given spins were to
host the information reliably for considerable time, it must be protected against random or spontaneous
depolarization caused by various relaxation mechanisms. Therefore, one needs to understand all various possible
relaxation mechanisms that cause spin relaxation in a solid.
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Spin interaction
Spin relaxation
When an electron is introduced in a solid, the interaction between the electron and its environment affects its spin
orientation, i.e., the environment may give rise to an effective magnetic field which interacts with the spin and
changes its orientation. The effective magnetic field in a solid arises from the following sources:
• nuclear spin,
• phonons (lattice vibrations) that gives time dependent magnetic field (in some circumstances), and
Any effective magnetic field interacting with the magnetic moment of the electron's spin can alter the electron's spin
state. In order to understand how this occurs, we shall first consider the time-independent Pauli equation describing
the electron:
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Spin interaction
Spin relaxation
The stable spin polarizations in the presence of the effective magnetic field are those that are parallel or anti-parallel
to the magnetic field. However, most of the time, the electron's initial spin will not be parallel or anti-parallel to the
new effective magnetic field and therefore, the initial spin will not exactly be stable and begin to change with time as
soon as the electron encounters the new effective magnetic field. This will result in spin precession about the new
effective magnetic field Beff with an angular frequency where g is Lande g-factor of the medium where
the electron resides. This phenomenon is known as Larmor precession.
It is well known that the magnetic flux density Beff caused by the spin-orbit interaction depends on the electron's
velocity or wavevector k. Therefore, if an electron's velocity or wavevector changes randomly owing to scattering,
then the axis about which the spin precesses changes direction because of the change in the effective magnetic
field direction and the frequency of Larmor precession. These changes occur randomly in time because scattering
events are random. Hence, the spin polarization of an electron changes randomly in time, which leads to the
relaxation of spins.
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Spin interaction
Spin relaxation
(i) Elliott-Yafet Mechanism;
The Elliott-Yafet mechanism is based on the fact that in real crystals Bloch states (the wavefunction of a particle,
usually, an electron, placed in a periodic potential) are not spin Eigen states. As a result, an electron's spin in the
crystal does not really have one of two fixed polarizations: up or down. However, the actual spin polarization
depends slightly on what the electron's wave vector is, which is schematically depicted in Figure.
Figure: (a) Energy dispersion relation showing the spin polarizations at different wavevector states. Each
wavevector has two possible mutually anti-parallel spin polarizations. A momentum changing collision event, that
changes the wavevector state from k1 to k2, also changes the spin orientation since the Eigenspin polarizations at
k1 and k2 are generally not parallel, (b) The periodic spin-orbit interaction makes the spin up Bloch states contain
small spin-down amplitude, and vice-versa.
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Spin interaction
Spin relaxation
(i) Elliott-Yafet Mechanism;
Each wavevector state still has two possible spin orientations that are mutually anti-parallel but spin orientations
associated with different wavevector states can have arbitrary angle between them. If a collision event with a non-
magnetic scatterer changes the momentum or wavevector of an electron, then it will change the spin as well since
the spin orientations associated with the initial and final wavevector states are never mutually parallel. The spin
state of a nearly up-spin electron at a wavevector state k1 and that of a nearly down-spin electron at a different
wavevector state k2 are not strictly orthogonal, since they are not strictly anti-parallel. Thus, any collision with a non-
magnetic scatterer that changes the wavevector of an electron from an initial state k1 to a state k2 can also couple
the nearly down spin state at k1 to the nearly up spin state at k2. This coupling can flip the electrons spin from nearly
up to nearly down. Such spin relaxation is always accompanied by some degree of momentum relaxation since the
wavevector must change in order to change the spin.
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Spin interaction
Spin relaxation
(ii) D'Yakonov Perel mechanism:
If any given solids lack inversion symmetry because of its crystalline structure or because of an externally applied
electric field, then an electron in the solid will experience strong spin-orbit interaction. Now, let us consider an
ensemble of electrons drifting and diffusing in a solid. If every electron's velocity is the same and does not change
with time, then the field is the same for all electrons and every electron precesses about this constant field with a
fixed frequency. This does not cause any spin relaxation at all, i.e., if all electrons started with the same spin
polarization, then after any arbitrary time they all have precessed by exactly the same angle and therefore they all
have again the same spin polarization. The direction of this spin polarization may be different from the initial one,
but that does not matter as the magnitude of the ensemble averaged spin does not change with time. Hence, there
is no spin relaxation.
The Bir-Aronov-Pikus (BAP) mechanism is a source of spin relaxation of electrons in semiconductors where there is
a significant concentration of both electrons and holes (see Figure). In such a case, an electron will be usually in
close proximity to a hole, so that their wavefunctions will overlap. This would cause an exchange interaction
between them. If the hole's spin flips, then the exchange interaction will cause the electron's spin to flip as well,
leading to spin relaxation.
Figure: Schematic drawing of BAP mechanism. The exchange interaction between electrons (filled circles) and
holes (open circles) causes the electron spins to precess along some effective magnetic field determined by hole
spins. In the limit of strong hole spin relaxation, this effective field randomly changes before the full precession is
completed, reducing the electron spin relaxation.
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Spin interaction
Spin relaxation
(iv) Hyperfine interactions with nuclear spins:
In solids, the nuclear spins generate an effective magnetic field which interacts with the electron spins via hyperfine
interactions, resulting in spin relaxation. The Hamiltonian describing this interaction is given by
where |n> is the coupled electron and nuclear site, Sz(0) and Sz(t) are the initial spin eigenstate at time t=0 and the
Eigenstate at some later time t, respectively, and Sz(t) is given by . From the behavior of Cn(t),
one can deduce the temporal behavior of Sz(t). The decay is much faster for the fully polarized case, but the steady
state value <Sz(∞)> is much closer to Sz(0) in the fully polarized case that in the unpolarized case. In any case, the
hyperfine interaction does not cause complete loss of electron spin polarization.
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Spin interaction
Spin Transport
The magnetism of materials is carried by electron spin, while electrical transport is caused by the motion of electron
charge. Although these two fundamental properties of solids have been well known for many centuries, the fields of
magnetism and electrical transport have been developed almost independently. As the fabrication techniques in
micro and nanoscale samples have shown tremendous progress, the field of spintronics has been developed,
where the coupling of electron spin and charge plays an important role. Since the fundamental properties of
spintronics are closely related to the length scale L characteristic of samples and to the motion of the electrons in
metal, it is very much important to understand the electron transport properties, i.e., the control of spins by an
electric field and the control of electrical current by a magnetic field in metals. Hence, the primary motivation of the
discussion is to
1. Take you through a simple introduction to transport theory covering Boltzmann equation,
2. Understand the transport properties in thin films and the Fuchs-Sondheimer model for thin films
3. Discuss the effect of magnetic field on the electron transport properties and to understand the normal
magnetoresistance,
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Spin interaction
Spin Transport
(1) Electron transport theory covering Boltzmann equation
The Boltzmann equation is a semiclassical approach to the calculation of electrical conductivity which assumes that
the electric field (Ɛ) is sufficiently small and the response to the current, j, is linear, so that j=σ.Ɛ, where σ is the
electrical conductivity. In addition, it assumes that the momentum is well defined and hence k is a good quantum
number. This assumption is true if the wavelength of the electron is small compared to its mean free path. In such
cases, the electron appears as a plane wave before each scattering event, as shown in Figure. In these
circumstances, the condition, kFλ>>1 is satisfied, where kF is the Fermi wavevector and λ is the mean free path of
the electrons. The electrons can be described by their distribution function f(k). At equilibrium this is simply a Fermi-
Dirac distribution is given by
In the presence of an electric field the distribution deviates from the equilibrium such that . In the
steady state condition, the current (and hence the conductivity) can be calculated from a simple average of the
electron velocity using this distribution function.
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Spin interaction
Spin Transport
(1) Electron transport theory covering Boltzmann equation
Where . Note that the second term in eqn.(3) is zero, since this distribution function describes the
equilibrium state where there is no net flow of electrons.
Therefore, the problem of calculating the conductivity is now reduced to calculating the distribution function g. In its
simplest form, the Boltzmann equation is a simple expression of the steady state condition that the distribution
function is not changing with time, i.e.,
The first term in eqn.(4) describes the fact that the function f is being driven away from equilibrium due to the
acceleration of electrons by the electric field. On the other hand, the second term describes the relaxation back into
equilibrium due to various scattering processes. Now let us discuss how this simple expression can be used to
calculate the conductivity in a simple free electron model, in more complex models and in thin films.
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Spin interaction
Spin Transport
Diffusive scattering:
If we assume diffusive scattering at surfaces as shown in Figure, then we have to postulate that all electrons starts
with their equilibrium distribution after the collision at the surface. It means that they lose their field drift completely.
On the other hand, elastic collision of the electrons at the surface will not alter the bulk conductivity since the drift is
the same before and after scattering (see Figure).
The resistance of the magneto resistor is directly proportional to the magnetic field, i.e., their resistance raises with
the increase of the magnetic field. The variation in resistance occurs because of the magneto effect.
The magnetoresistor operates without physical contacts which is their major advantage. The magnetoresistor has
various applications like it is used in the hard disk of the computer, an electronic compass, for measuring the current
etc.
William Thomson (Lord Kelvin) first discovered ordinary magnetoresistance in 1856. He experimented with pieces of
iron and discovered that the resistance increases when the current is in the same direction as the magnetic force
and decreases when the current is at 90° to the magnetic force. He then did the same experiment with nickel and
found that it was affected in the same way but the magnitude of the effect was greater. This effect is referred to as
anisotropic magnetoresistance (AMR).
In 2007, Albert Fert and Peter Grünberg were jointly awarded the Nobel Prize for the discovery of giant
magnetoresistance.
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Spin interaction
Magnetoresistance
The collision increases the loss of energy in the form of heat. This heat increases the resistance of the magneto
resistor. The current of very small magnitude flows in the magnetoresistor because of few free electrons. The
deflection of the magnetoresistor electrons depends on their mobility. It is more in the semiconductor material as
compared to the metals. The mobility of the indium arsenides or indium antimonides is approximately 2.4m2/Vs.
|FB| = q|v| x B,
where the bold face on F, v, and B indicates that these quantities are vectors: they have both direction and
magnitude. The x is a cross-product, which means that the magnitude (size) of the force is found from
and the direction of the force is found from a right-hand rule: put your thumb in the direction of (qv), your second
finger in the direction of B, and your middle finger (or palm) will point in the direction of the force. θ represents the
angle between B and v. Be careful when applying this rule to a negatively-charged particle like the electron: qv
points in the opposite direction of v, since q is negative.
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Spin interaction
Magnetoresistance
You should understand the following consequences of this force:
1. A charge at rest experiences no magnetic force, since v is zero.
2. A charge moving parallel to the magnetic field experiences no magnetic force: since the angle q between B and v
is zero, sinθ is zero.
3. A charge moving un-parallel to the magnetic field experiences a magnetic force perpendicular to both the
charge's motion and the magnetic field.
4. A negatively charged particle experiences a magnetic force opposite the direction of the magnetic force on a
positive charge.
Let us apply this magnetic force to a charge moving through a wire (Figure). The teal conduction electrons are
moving to the left (red arrow) through a wire. Since the charge of the moving charges is negative, qv points
opposite the direction of v, or to the right (brown arrow).
A uniform magnetic field is present throughout the
wire, pointing into the page (lavender x's). Using the
right-hand rule, with the thumb to the right
representing qv, the second finger into the page
representing B, we find that the palm representing F
points toward the top of the page. So the conduction
electrons feel a force toward the top of the wire. This
magnetic force disrupts the normal flow of electrons,
causing more collisions with atoms and other
electrons, which increases the resistance of the wire.
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Magnetoresistance
Magnetoresistance
• Family of MR
– Ordinary magnetoresistance (OMR)
– Anisotropic magnetoresistance (AMR)
• Modern family of MR
– Giant magnetoresistance (GMR)
– Tunneling magnetoresistance (TMR)
– Colossal magnetoresistance (CMR)
– Spin Hall magnetoresistance (SMR)
– Unidirectional spin Hall magnetoresistance (USMR)
– Magnetoconductance (MC)
– Ballistic magnetoresistance (BMR)
Figure: (a) Ferromagnetic and (b) antiferromagnetic configurations of magnetic multilayers film.
where R↑↓ and R↑↑ are the resistance of the multilayer film in antiferromagnetic (AFM) and FM configurations,
respectively. The most commonly used combinations of magnetic and non-magnetic layers are Cobalt - Copper and
Iron - Chromium. But multilayers based on permalloy (Ni80Fe20) as the magnetic component are also used
frequently.
Figure: (a) Current perpendicular to plane (CPP) and (b) current in plane (CIP) GMR geometries.
Since the ↑ and ↓ spin channels are independent (spin is conserved) they can be regarded as two wires connected
in parallel. In addition, the electrons with spin projections parallel and antiparallel to the magnetization of the FM
layer are scattered at different rates when they enter into FM. This is called spin-dependent scattering. Let us
assume that electrons with spin antiparallel to the magnetization of the FM layer are scattered more strongly. The
GMR effect in a trilayer can be now explained qualitatively using a simple resistor model as shown in Figure.
In the FM configuration, the electrons with ↑ spin are weakly scattered both in the first and second FM layers
whereas the electrons with ↓ spin are strongly scattered in both FM layers. This can be simulated by two small
resistors in the ↑ spin channel and by two large resistors in the ↓ spin channel in the equivalent resistor network
shown in Figure a. Therefore, the resistance in FM configuration is determined by the low-resistance ↑ spin channel
which shorts the high-resistance ↓ spin channel. On the other hand, in the AFM configuration, ↓ spin electrons are
strongly scattered in the first FM layer but weakly scattered in the second FM layer. Similarly, the ↑ spin electrons
are weakly scattered in the first FM layer and strongly scattered in the second. This is modeled in Figure b by one
large and one small resistor in each spin channel. There is no shorting feasibility now and the total resistance in the
AFM configuration is much higher than that in the FM configuration. This simple resistor model is believed to be
correct but needs to be converted into a quantitative theory that can explain the differences between the CIP and
CPP geometries, and the observed dependence of the GMR on the layer thicknesses and also the material.
(5)
As there are no impenetrable partitions between the neighboring regions in a superlattice, electrons can go easily
through the interface and undergo scattering in both the layers. In such case, the system is not two independent
resistors, i.e. the two layers do not behave as ordinary resistors in parallel. There are two important physical limits in
which the total resistance of a superlattice can be easily evaluated.
Case B: The mean free path in each layer is much longer than the thickness of the layer. For a metallic superlattice
with a small number of atomic planes in each layer, the typical mean free paths are of the order of tens or even
hundreds of interatomic distances. Therefore, one would expect GMR.
Conduction electrons now sample equally layers with low and high resistivity and experience an average resistivity.
For a two-component superlattice, the average resistivity is given by
Adding both part in eqn.(7) results the two-component superlattice resistance for FM configuration
The above equation is now easy to pinpoint the main factors that determine the GMR.
3. For a given value of β, GMR increases with increasing (Mμ/N) values and saturates eventually.
4. On the other hand, the GMR value decreases with increasing the spacer layer thickness, i.e., the GMR falls as
(1/N2) as shown in the Figure below for the Fe/Cr multilayers on the thickness of the non-magnetic chromium layer, .
At first, we shall focus on simple classification of magnetic junctions. Subsequently, we go into how the basic
models of tunneling need to be modified in the presence of a spontaneous magnetization of the electrodes. Further,
we will discuss (i) the changes that the interface can induce in the basic elastic processes, (ii) inelastic tunneling
mediated by magnetic excitations at the electrodes or at the surface, (iii) the changes in the magnetic structure of
the surface, and (iv) charging effects. In general, the transport between two bulk metallic electrodes can be
classified into two types as shown in Figure:
Figure: Schematic picture of a junction: (a) Tunnel type junction, and (b) Contact type junction.
where c is a constant of order unity, which depends on the detailed shape of the barrier and on the electronic
wavefunctions. The barrier can be either (i) the vacuum created between the two electrodes, in which case the
height of the barrier is given by the work function of the electrodes, or (ii) by inserting an insulating layer between
the two electrodes. The barrier height in the latter case depends on the position of the edges of the gap of the
insulating material with respect to the Fermi level of the electrodes. It is clear from the eqn.(1) that the tunneling
depends exponentially on the distance between the electrodes, and we may expect that in a junction of
macroscopic size, the current will be due to tunneling events at bulging of the interface. A change of a few
angstroms even can greatly modify the tunneling probability. The conductance at any of these points is given by:
(3)
In the earlier part of the discussion, we ignored the magnetic properties of the electrodes. If the number of electrons
of the two spin polarizations is not equal, we must define a spin-dependent conductance, at each of the points
where electrons move from one electrode to the other. The expressions defined earlier are modulated by the density
of states (DOS) of each type of electrons. For a given bias voltage V, the electrons which participate in the
conduction come from the levels located at a distance eV from the Fermi energy, EF.
Therefore, to understand the transport at small bias voltages we need to know DOS at EF, D↑(EF) and D↓(EF). As
mentioned earlier, the tunneling magnitude will be spin dependent, as shown in Figure.
where is the electrical resistance in the anti-parallel state, whereas is the resistance in the parallel state.
The TMR effect was explained by Jullière with the spin polarizations of the ferromagnetic electrodes. Tunneling of
spin state from first film into second film is determined by unfilled states of same spin in second. The spin
polarization P is calculated from the spin dependent density of states (DOS) at the Fermi energy:
The spin-up electrons are those with spin orientation parallel to the external magnetic field, whereas the spin-down
electrons have anti-parallel alignment with the external field. The relative resistance change is now given by the spin
polarizations of the two ferromagnets, P1 and P2:
Standard junction
Standard junction