Thursday, August 9, 2012

Andy Schofield (University of Birmingham, UK)
Quantum Criticality - A tutorial


Blogged by Michael Norman and Piers Coleman

Andy is going to do a blackboard talk so let's see how good my eyesight is.  The focus will be on ZrZn2, a weak ferromagnet, with the emphasis of how current-current interactions affect metals, and whether the standard Hertz-Millis theory (time dependent Ginzburg-Landau) works or not.

To motivate all of this, let us consider a few cases first.  The "strange metal" behavior of cuprates exhibits linear T resistivity over a wide range of temperatures, but the nature of the "ordered" (pseudogap) phase is controversial.  CePd2Si2 is an antiferromaget, which is suppressed to zero under pressure.  Near the resulting quantum critical point, one sees unconventional superconductivity.  Or consider a first order transition (like liquid-gas).  At the end of the first order line, one has a second order critical end point, which in principle could be tuned to zero by varying some quantity like field, pressure, or what have you.

Q: What do you mean by critical fluctuations?
AS:  Near the ordering phase line, small variations of the order parameter field lead to large responses.

In ZrZn2, the electrical resistivity varies as T^5/3.  The thermal resistivity instead varies as T.  This is seen in nickel doped palladium as well, where Ni doping drives paramagnetic Pd into a ferromagnetic state.  The phase line varies as (x-xc)^3/4, where xc is the concentration of Ni that first induces ferromagnetism.   In Ni doped Pd, the specific head coefficient C/T varies as the log of T.







Now to the tutorial.  In Landau theory, there is a one to one mapping between non-interacting electrons and fermionic quasiparticles.  One can characterize the system by a distribution function, n(E), which varies with momentum, k.  The difference from the Fermi function is determined by interactions.  This can be determined by a scattering rate, which can be calculated using Fermi's golden rule, taking into account the presence of a filled Fermi sea.  One finds that the scattering rate depends on omega^2, where omega is the energy loss.  Including temperature, omega^2 changes to omega^2 + (pi*T)^2.

This is a phase space argument.  Now, let's assume the scattering potential depends on momentum and energy.  Exploiting energy and momentum conservation, one sees that the transferred energy, omega, is restricted to being (T=0) between zero and the energy E of the state, whereas the transferred momentum is restricted to being between omega/vF and 2kF, where vF is the Fermi velocity and kF is the Fermi momentum.  The result for the scattering rate (easily derived by power counting) is

1/tau ~ Integral(0 to E) omega domega Integral (omega/vF to 2kF) q^(D-3) dq |V(q,omega)|^2 where V is the scattering potential and D the dimensionality.  If V is constant, in D=3, this gives E^2 as before, whereas in D=2, one gets E^2log(E) instead.

If V has structure, then one gets something more interesting.  Coulomb scattering looks promising, since V ~ 1/q^2, but screening converts this to 1/(q^2 + qTF^2) where qTF is the Thomas-Fermi wavevector, and the infrared divergence is cutoff.

On the other hand, magnetic scattering is not screened, so this is more promising.  Assuming an Amperean potential between currents, j.  Using Maxwell equations and Ohm's law, the current-current scattering potential varies as 1/(q^2 - omega^2/c^2 + i*omega*sigma) where sigma is the conductivity.  The last term in the denominator is the so-called skin effect.  In the clean limit, sigma varies as 1/q.  So V^2 goes as 1/q^4 down to q of order omega^(1/3).  The result is that 1/tau (D=3) now goes like E instead of E^2.  Since 1/tau is a measure of the imaginary part of the self-energy, by Kramers-Kronig, one can show that the real part of the self-energy goes as E*log(E).  Therefore, the specific heat coefficient goes as log(T).

But the problem is that the ratio of the Amperean potential to the Coulomb one goes as vF^2/c^2, which is of order 10^(-6).  So, although one does indeed find a breakdown of Fermi liquid theory, this only shows up at extremely low temperatures.

Q:  This looks like a classical treatment?
AS:  Yes and no.  One has a Fermi surface, and then treats things in a semi-classical approximation.




Part II.  Andy begins with a summary of the first lecture.  The blackboard is empty and we are ready for another wonderful blackboard talk. Andy is going to use the results from the last lecture to gain insight into the magnet quantum critical point.  Andy says - if I think about an electric current and imagine how it is affected by small angle scattering.  A quasiparticle receives a tiny knock, and is now diverted through a small angle - this contributes to the decay rate of the quasiparticle, but it does not affect the transport current very much. (Bloggers aside: We saw this yesterday in Lara Benfatto's talk - this is the effect of the vertex corrections. ) The change in the current is

Delta j = k_F (1-cos (theta)) ~ k_F * (q/k_F)^2

which is reduced by the factor q^2s, so that transport rate is now

current decay rate = Integral omega domega Integral  d^D-1 q dq/ q^2  * |V(q,omega)|^2

                                * additional q^2 term

The q^D-1 cancels with q^2 in D=3, the |V(q,omega)|^2 ~ 1/q^4 at q^2  > omega/q, so the lower limit becomes omega^1/3, so when we do it, we have dq/q^2 from omega^1/3 , which gives 1/omega^1/3 from the q-integral, which gives in the end, with the frequency integral omega^5/3 -> T^5/3. (Blogger's aside - this result is consistent with simple dimensional analysis! AS answers that it is good to see how this works in detail. )

Q: wouldn't you have to do this self-consistently, because the resistivity appears in the damping rate?
AS: Potentially - but it comes back to whether the effective mass should be calculated self-consistently.  But the answer seems to be, it doesn't affect anything.

AS asks - can we use these results for U(1) gauge theories, where the coupling constant is much bigger.  AS reminds us about the method that was used by Yong Baek in his talk on spin liquids -

  fermion  = spinon creation * holon                         (slave boson approach)

Now this introduces a local gauge invariance, and to make this work once the spinons are delocalized, you need a fictitious electromagnetism.

Q: Is this really fictitious - after all it leads to a collective " artificial light ",
AS: I wanted to make the point that it is not conventional Electromagnetism.  It is observable, because it will lead to  a T^2/3 specific heat.  Andy points out that the energy will go like
T^2/3. (Blogger didn't quite catch it all).


Now we discuss Matter close to quantum criticality.    The action is written down

S = phi[ r0 + q^2 + |omega|/Gamma(q)]phi + u phi^4

Why do I have a term proportional to omega?  Answer - because this is allowing for the physics of damping?

quasiparticle interacts with medium that is almost magnetic, and it sends out modes with a propagator that is the inverse of the quadratic coefficient of S

1 / [r0 + q^2 + |omega|/Gamma(q)]


If you were in an insulator, the damping would be replaced by omega^2.  But here we have a metallic environment, the magnon interacts with the Fermi sea which makes particle-hole pairs.

Q: can this be derived?
AS: Yes, but we now know there are some problems with the derivation (non-analytic terms in frequency for example).

So in a system like ZrZn_2 close to criticality, the propagator of the critical magnetization is essentially identical with the current-current fluctuations we talked about this morning, but with a much stronger coupling.  And we see a T^5/3 resistivity as expected. Note that the thermal resistivity,  which is just governed by the quasiparticle relaxation rate, is still linear in T, as measured by Smith et al in the data shown below.

Q: how do you derive this from the partition function?
AS: Well - we'd like to rewrite the Boltzmann partition function in terms of states that are not eigenstates? Fortunately for me that question was answered long-ago by Feynman, who wanted to use position eigenstates in zero temperature qm.  He showed that you could evalue the expectations of

<r | exp[-i H t] r'>

provided you split it up into tiny increments, and then sum over all "histories" {r(t)}.  I'm trying to do exactly the same thing here,

< phi | exp[- H beta] |phi> = Sum over the {phi_j} configurations of

               < phi | exp [ - H \delta \tau] |phi_1> x ..... x <phi_N-1| exp[-H \delta \tau |phi

I now have imaginary time, and I have to split it up into all trajectories of the magnetization in imaginary time.

Q:  I understand all of this, but why does it give rise to the precise form in S that you have shown us?
AS: The answer is that this is the first allowable term in the expansion - why do I have a q^2 - the first that is allowed - you might have though omega^2,  but because this is in a damped environment, you can have a |omega|.  Actually what we have here is the Lindhardt function - a polarization bubble which has precisely this form.

Q: But why do you have a 1/q in the damping omega/q.
AS: I kind of lied to you, because  ferromagnet is an eigenstate. But when we look at long wavelength modes, (draws a wave) . In the FM, the decay rates are suppressed as the wavelength gets longer and longer, and this gives rise to a damping rate Gamma(q) ~ q.  Balistic motion - the amount of time is proportional to the wavelength, which gives tau ~ lambda, 1/tau ~ q.  But if it was a dirty ferromagnet, the electrons would diffuse, so now tau ~ lambda ^2, 1/ tau ~ q^2. Final thing I should mention is an antiferromagnet.  Now it doesn't depend on the slight variations about the AFM wavelength, so damping rate is constant.

So for an antiferromagnet, the propagator becomes

1 / [ r0 + (Q-q)^2 + |omega|/Gamma_0]

where we expanding the Gamma around the afm wavevector.  So now I can change my scattering rate formula, which now becomes centered around Q.

 (Q-q) -> qtilde

The denominator has now gone away becomes big Q^2.  The q^2/k_F^2 disappears because the scattering is now at large Q, which relaxes the current easily.

Q: Why don't you change the lower limits of integration in momentum?
AS: The upper cutoff isn't really important. Its kind of order (k_F). The lower cutoff is now when p^2 ~ omega, so lower limit is indeed changed to omega^(1/2)


But why is all of this wrong?  

Well experimentally - in the FM - almost all of them become first order before we reach the QCP. (Bloggers aside, there is a new Yb system which does have a second order transition, but its more localized)

MnSi is a particularly fascinating case.  It also doesn't go quantum critical - weakly first order - and worst, the power law, which is not actually T^5/3, but T^3/2, appears over a wide range of the tuning parameter (presssure) - and nobody understands this.

Theoretical reappraisal. 

It turns out that there are additional terms in the LGW action. A more detailed analysis tells us that terms I've left out should affect the answer.  Finally - almost everything I've discussed now applies to itinerant systems, where the magnetism is delocalized, but a lot of the crucial experiments are on f-electron systems where the magnetism is very localized, and the itinerant approach I've described here doesn't apply.

A better job of dealing with the FM QCP, there are non-analytic terms, eg in 3D, q^3/2 terms, which leads to fourth order terms that go negative, explaining why the transitions tend to go first order.
The current picture of the FM QCP is as follows:


Now the electrons are coupling to the transverse modes. The early pioneers did not quite take into effect the higher order transverse modes - but if you can gap them out by applying a field, you do get interesting quantum criticality at a metamagnetic QCP.

Puzzles in Heavy Fermion QCP.

Examples include CeCu6-xAu_x

The reason we thought things were fine - that we can ignore the mode-mode coupling terms can be ignored (above the upper critical dimension) - yet there is evidence that the system obeys E/T scaling - a result of something called "naive scaling" -  which suggests that the underlying quantum critical point is somehow below its upper critical dimension.  There is other evidence that the critical fluctuations are affecting all the Fermi surface  - some kind of local quantum criticality.

Another example is YbRh2Si2, which has an incredibly low ordering temperature that is killed off by a tiny magnetic field. Seems to be an additional scale that is collapsing to zero T^* at the QCP. This is one of the great puzzles.

Ends with a cartoon about what might be going on. Conduction electron zooms past a spin and exchanges spin with it. The key question, is what is the fate of the localized spins. One side - the ordered state - they are localized - on the other hand, there is another possibility that the interaction between the electrons and the local moments could undergo a Kondo effect, whereby the electrons and local moments bind in delocalized heavy fermions.

An example of a delocalized heavy fermi liquid, Andy gives UPt3, where the volume of the FS includes the f-moments. The picture thats emerging, is that the QCP could be the merging of Kondo and magnetism - a direct competition between the formation of the heavy fermi liquid and the magnetism. Its not clear that the magnetism and the failure of the heavy fermi liquid need coincide - but they seem to in some systems.

I just want to mention the new interest from String Theory - but which you will hear about on Monday - what little I know - there is a famous conjecture that says that strongly interacting theories in one dimension have a duality with a gravity theory in one higher dimension.  The idea is that if you can solve for the motion of particles in a classical gravity theory in one higher dimension will give you the interacting physics of a QFT in the lower dimension.  We might all have to learn, or at least remind ourselves about general relativity....

Strongly interacting QFT in D dims  <-------> Classical general relativity in at least D+1 dimensions.

Q: Andrey - maybe you should mention the names of Hlubina and Rice
AS:  It turns out, that shown by Robert Hlublina and Rice,  that you shouldn't do the average over the Fermi surface of the scattering rate, but the scattering time. And when  you do this in the clean limit, you get the result that the Fermi liquid T^2 scattering rate dominates.  Achim Rosch has shown that in the dirty limit, one can account for non-Fermi liquid behavior at a dirty 2D afm quantum critical point.

Q: Are there any cases where the simple derivation works?
AS: yes is the answer.  My favourite is the quantum critical end point of Strontium Ruthenate.  Even though the PT to AFM is driven first order by applying a field, you can still at finite field where we get QCP.  Does it work there?  Well, there is evidence that still more interesting things happen around the quantum critical end-point.

Q: Can you give some simple insight why here you have to take more and more terms, why its failing here, as opposed to BCS theory, where things work out.
AS: BCS is a simple case where you don't have to include fluctuations.  Here the problem is that we normally make the assumption that theres a single low-lying mode - but when we deal with metallic systems, we've go other low lying degrees of freedom - could be various types - what we're not able to do is to handle consistently all these low lying modes together.  But as a corollary, if you do this in insulators, everything works beautifully.  There are cases where quantum criticality does work beautifully, but I was limiting myself to the case of metals, where there are problems.

AChubukov.  If I were to answer the question of self consistency. I would answer that formally you can do self-consistency - there is some self-consistency at least at zero level. (We now know there are more subtle problems at higher order - blogger aside - this is a reference to the recent work of Metilsky et al. )




Thursday, 9th August
Elena Bascones
(Instituto de Ciencia de Materiales de Madrid (ICMM), Spain )
Mott physics: from basic concepts to iron superconductors

Blogged by Michael Norman and Natasha Perkins (with a little help from the start by Piers Coleman)

Elena begins with an introduction to Mott Physics. Kinetic energy from hopping likes to delocalize electrons.  In the atomic limit, we have a Coulomb repulsion term U which raises the cost of charge fluctuations and suppresses double occupancy.  In a single band system with one electron per site (on average)  as we increase U, we expect a Mott transition to localized electrons, because double occupation is forbidden.

Delocalized electrons (U << t) ---> Mott Transition ---> Localized electrons (U >> t)

Likewise, starting from the insulating limit, we have an upper and lower Hubbard band, separated by an energy U, corresponding to electron removal (lower band) and electron addition (upper band). These bands will broaden as we turn on the hopping between sites, with a width W proportional to the hopping t. 

Q: Isn't it more subtle. As you move your hole, don't you scramble your antiferromagnetic order?
EB: I haven't yet talked about AFM order.  Mott insulators can exist without magnetic order - in principle, you don't need to have magnetic ordering (e.g. in frustrated or low dimensional systems).

Hopping lowers the kinetic energy, whereas double occupancy costs you an energy U.

Now, let's approach the problem from the metal.  There is a band with width W.  There are four states per site - empty, spin up, spin down, and double occupancy. The average interaction energy is thus U/4.  The kinetic energy (constant density of states) is -W/4.  Therefore, we expect a transition when U=W from metal to insulator.  This simple picture assumes that double occupancy has a step jump to zero at U=W.

A better approximation (Gutzwiller) is to have the double occupancy vary linearly with U.  The kinetic energy is raised, but the interaction energy is lowered, with the resulting total energy being lower, and the transition is moved to U=2W.  The quasiparticle residue steadily decreases in the metal, disappearing at U=2W (Brinkman-Rice transition).

The real situation lies in between, and can be captured by dynamical mean field theory (DMFT).  On the metal side, there are now three bands, lower Hubbard centered at -U/2, a metallic band centered at 0, and an upper Hubbard band centered at +U/2.

We now turn to magnetism at half filling.  An electron can virtually hop to a neighboring site if the spins are opposite, leading a a savings in energy of J = t2/U where t is the hopping.  This leads to a AF (Neel) state.

Now, what about multiple orbitals?  For d electrons, crystal field splitting leads to t2g and eg states.  This modifies the on-site energies.  The hopping now depends on the orbital index.  The interaction contains intra-orbital and inter-orbital pieces, as well as Hunds rule contributions that tend to align the spins of different orbitals.


The interaction contains terms proportional to U (intra-orbital), U' (inter-orbital, different spin) = U-2J, and U'-J (inter-orbital, same spin) where J is now the Hunds coupling.  If we take the limit that J goes to zero, the problem simplifies.  One can show that in the Gutzwiller approximation, the Mott transition occurs at NW, where N is the number of orbitals.  This is reflected in DMFT, where the bands widen with increasing N.
With N greater than 1, one can now have a Mott transition away from half filling unlike the N=1 case where the transition is confined to half filling.


Q: What fillings are allowed?
EB:  One must have an integer number of electrons per site for a Mott transition.


Now lets switch on the Hunds J.  The energy is lowered when the spins are aligned on a given site.  With increasing J, the Mott transition is moved to lower U at half filling.  The opposite occurs away from half filling for n (site occupancy) of 1.  This is due to two competing effects, J reducing the degeneracy, and J changing the interaction energy.  The net effect is that at half filling, J increases localization, whereas away from half filling for n=1, J promotes metallic behavior.  This is confirmed by DMFT simulations.

For cases where n is neither 1 or N, J typically promotes "bad metallic" behavior.  Take N=3.  According to DMFT, Mott behavior is promoted at n=3.  n=2 and 4 lead to low coherence temperatures ("bad" metal with "spin freezing").  More metallic behavior is found at n=1 and 5.

Q: How does Hunds coupling affect the Mott gap?
EB: For half filling, gap = U+(N-1)J.  Away from half filling, gap=U-3J.


Q:  What is the physical origin of J?
EB:  This comes from the dependence of the Coulomb interaction energy on spin and orbital indices.






Leni part II (Blogged by Natasha Perkins)
Non-equivalent bands.
Two  different transitions for two bands give a possibility for orbital selective Mott transition.
 First consider Hund=0.  Two bands are degenerate.  Because of degeneracy, large difference between bands is required for orbital selective MT (OSMT).
Now  Hund is non zero. Hund’s coupling decouples orbitals. With finite Hund’s coupling the metallic state does not benefit from the degeneracy. The  band with smaller bandwidth becomes insulating first. OSMT can be obtained also in case of 3 and 4 bands, and is also affected by Crystal field.  Leni shows two examples of OSMT in which it is clear how the quasiparticle (QP) weight varies with the ratio Hund/Coulomb.
Iron based SC.
During last years many Fe-based SC were discovered. These are multi-orbital systems. Leni shows the PD for Fe-based SC.
 Correlations in iron-based SC are probably weaker than in cuprates, but are still important. One can see from the experiment Lu et al (Nature 2008), that mass enhancement is  about 3. From Basov talk (optics), we also saw that correlations are weaker. Contrary to cuprates, parent Fe-compounds are not Mott insulators. Does this mean that they are not correlated?
We should include all 5 orbitals to explain Fe-based SC. These 5 orbitals are different, there are 6 electrons on 5 orbitals, so we are not at half-feeling.  We can think about pnictides as about doped Mott insulator.
Iron SC are Hund’s metals. Correlations are enhanced by Hund’s coupling. This is possible because of the multiorbital character, which plays an important role – we can have coexistence of localized and itinerant electrons.  Leni shows PD from which we can see that correlated metallic state appears due to Hund’s coupling. Different Fe  compound are either more or less correlated.
Leni compares results from 2- and 5-bands model.
Liebsch(2010) also shows that hole-doping increases correlations.  Doping with electrons decreases correlations.
Andrey: the  PD is at T=0. Then what the words FL mean? Leni: Yes, it is T=0 because Liebsch is doing exact diagonalization.  ( I did not get Leni’s answer).
BeFe2As2 – PD with FL and NFL. Crossover T is governed by Hund’s coupling. NFL is seen when we are moving towards half-filling. There the QP weight is much smaller.
Rafael: You  expect that 3d5 will be insulating? Leni: Yes. Rafael: but if you dope  3d5 with electrons it becomes metal as other pnictides.  Leni and Rafael  discuss resistivity in different compounds.
Orbital differentiation in iron SC – degree of correlation is orbital depend. ( plot of QP weight for different orbitals). XY orbital has lowest QP weight.
Do we expect an OSMT in pnictides? XY orbital is the most correlated. In the plot we can see that in some materials the orbital differentiation is significant and in then we can expect OSMT, for example, in FeSe. OSMT is induced by hole-doping in FeSe ( results of M. Capone).
Andrey: Is it known where the spectral weight goes? Leni: there is a spread of spectral weight. Andrey: there are ARPES experiments which are interpreted as OSMT.  I want to relate your talk to Andy’s  talk this morning. What is about the frequency dependence of Z-factor? Does it change? Leni: I do not know such calculations.
Summary: one can have weak correlation due to U but still be correlated due to Hund.
How correlated are electrons? Which is the nature of magnetism in pnictides?
Let us discuss it in a more general sense. Magnetism can come even from weak correlations, Fermi surface instabilities, renormalized FL behavior. And of course, from simply localized picture, for example, from J1-J2 model which has been proposed to explain the magnetism in Fe-compounds ( stripes).
I am going to discuss first metallic AFM state (details in Rafael‘s talk). Columnar state with ( pi,0) ordering. Local-moment description – Heisenberg J1-J2 model. In this case the exchange appears from the second order perturbation theory, as in Mott state. J2 is rather large in pnictides due to hopping through arsenic ion. It has been proposed that J2>J1/2. There columnar order is stabilized.
 We computed J1 and J2. We showed that at small Hund,  the state is not columnar, but instead Neel state with (pi,pi). However, at large Hund, we can get columnar order with (pi,0). In fact, the orbital states in (pi,pi) and (pi,0) phases are not the same. There is of course a crystal field sensitivity of the orbital state.
Also, what one can get from localized picture is electron-hole doping asymmetry. We see that hole and electrons are going to different orbitals. Electron doping has a tendency to FM compared with n=6 parent compound ( LaOCoAs).
Andrey: in J1j2- the way how you select (pi,0) is due to quantum fluctuations. Is it also present in your analysis? Leni: no, these are higher order terms. It is probably quite complicated, one need to have bi-quadratic  exchange. We do Hartree-Fock.
Leni discusses Hartree-Fock PD, in which one can see (pi,pi)-( pi,0) transition with increasing Hund’s coupling.
YBK: Do you include orbital fluctuations?  Leni: yes, this is included. YBK: I have impression that you consider different orbital configuration and then compute exchange. Leni: Yes. YBK: But then you consider rigid orbital configurations, without fluctuations? Leni: This is the leading term.
What is the nature of (pi,0) state?
We focus on this state and try to understand what’s going on in this state. Leni shows the PD in parameter’s space of J/U  vs U. They have found three different regions: Itinerant phase with strong orbital differentiation, Non-magnetic insulating and Magnetic insulating phases. In itinerant phase not all orbitals are itinerant:  while xy and yz orbitals are gapped and insulating, zx, 3z^2-r^2 and x^2-y^2 are itinerant orbitals but with correlation features. It is interesting to see how one can go from one phase to another by doping.
Summary: multiorbital physics is important. Orbital differentiation is important and we should play attention to them.
Rafael: I have small issue about LDA+DMFT. There is a double counting of correlations in LDA and DMFT.
Leni: I din’t do this, but I know that people try to take this into account. We are working with tight-binding.  But the point is that different methods give similar results.
Gabovich: what is your opinion are about magnetic correlations?  Do they support SC?
Leni: I did not work on this issue, but I think in these systems fluctuations would support it.