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project submitted by :
Dibya Kirti Mishra,
Central University Of Kerala
v(k)=1/iħ[r,H(k)
<n,k|∆k|n΄,k>=<n,k|∆kH(k)|n΄,k>
εn΄(k)-εn(k)
Using above equation we arrived at
H = H(R),R = R(t)
We are interested in the adiabatic evolution of the system as R(t) moves slowly
along a path C in the parameter space. For this purpose, it is useful to introduce an
instantaneous orthonormal basis from the eigenstates of H(R) at each value of the
parameter R, i.e.,
H(R)|n(R)>=Єn(R)|n(R)>
γn = ∫c dR. An (R)
An(R)=i<n(R)|∂/∂R|n(R)>
From the above definition, we can see that the Berry phase only depends on
the geometric aspect of the closed path and is independent of how R(t) varies in
time.
The summation formula has the advantage that no differentiation on the wave
function is involved, therefore it can be evaluated under any gauge choice. This
property is particularly useful for numerical calculations, in which the condition of a
smooth phase choice of the eigenstates is not guaranteed in standard diagonalization
algorithms.It has been used to evaluate the Berry curvature in crystals with the
eigenfunctions supplied from first principles calculations.
The adiabatic approximation adopted earlier is essentially a projection
operation, i.e.,the dynamics of the system is restricted to the nth energy level.In fact, if
all energy levels are included, it follows from Eq that the total Berry curvature
vanishes for each value of R,
∑n Ωnμν (R)=0
This is the local conservation law for the Berry curvature.Equation also shows
that Ωnμν(R) becomes singular if two energy levels ε n(R) and εn΄(R) are brought
together at certain value of R.
Compared to the Berry phase which is always associated with a closed path,
the Berry curvature is truly a local quantity. It provides a local description of the geo-
metric properties of the parameter space. Moreover, so far we have treated the
adiabatic parameters as passive quantities in the adiabatic process, i.e., their time
evolution is given from the outset.we can further know how this Berry Phase is
producing AHE in half metallic compounds.
H=a(k)+σ.b(k)
where σ = (σX ,σY, σZ) are the three Pauli matrices.We can now expand the
Hamiltonian around the touching or gapless points (k = k0) in the Brillouin zone to
get
H ( k≈k0) ≈ const+σ.b(k0)+σ.∂bi (k-k0)
∂kj (k=k0 )
This is precisely the Weyl Hamiltonian (though offset and anisotropic) and
the wave-functions are two component Weyl fermions with positive or negative
chirality. These band-touching points or nodes can move around in the momentum
space,by perturbations that change the Hamiltonian slightly, but the only way for
them to gap out and disappear is if they meet another node with the opposite chirality.
This is very different from what happens in graphene. In fact, a straighforward
generalisation of the graphene Hamiltonian to 3+1 dimensions can also be made
simply by adding a term proportional to σz to obtain
H=σxpx+σypy+σzpz ,
Perturbations can only move the nodes, but cannot gap them out. Hence, we
have gapless fermions with a single chirality at each band touching point.In a system
with both inversion symmetry and time-reversal symmetry intact, one always gets
Dirac nodes both left and right handed chiral nodes, at the same point, in which case
it is always possible to add a mass term using the fourth anti-commuting four
component γ matrix and gap it out. So to get Weyl nodes in the condensed matter
system, one needs to break either inversion symmetry or time-reversal symmetry.
The stability of the Weyl nodes can also be connected to a topological
quantum number, which is the conservation of the total charge of the Weyl nodes. As
we said above, a single Weyl node cannot disappear by itself. It has to annihilate with
a Weyl node of the opposite charge. This also means that for the Weyl nodes to have
well defined coordinates, momentum has to be a good quantum number, so
translational invariance has to be unbroken. So disorder has to be fairly weak.
Also, Weyl nodes can be thought of as monopoles in momentum space.
The charge of the Weyl node can be related to the quantised Berry flux, which can be
computed from the momentum space wave-functions of the filled states near the
Weyl node. It turns out to be ±2πκ depending on the chirality of the node (positive or
negative) and the ‘monopole’ charge κ. The topological stability of the Weyl node is
thus related to the Gauss law, which keeps the total flux inside a given surface
invariant. The Weyl node can only vanish when it annihilates with another Weyl node
with opposite chirality. Also, since the net charge of all the Weyl nodes inside a
Brilloiuin zone has to be zero, the Weyl nodes always come in pairs and the minimum
number of Weyl nodes that one can have in any model is two.
Time reversal symmetry:Time reversal symmetry implies a system which looks the
same when you reverse the sign of time. In quantum mechanics, it is represented as
an anti-unitary symmetry. For particles with 1/2 integer spin, this leads to the
Kramer's theorem which states that all time-reversal invariant states are doubly
degenerate.
For Weyl semi-metals, inversion symmetry breaking does not give rise to
surface states.Surface states arise only when TR is broken at the phase boundary
between the normal and the topological insulator. For instance, if we choose the TR
symmetry to be broken by b = b xx^, then each Dirac point yields a pair of Weyl nodes
with a separation of bx / λz x ˆ in momentum space, and we note that away from the
Weyl nodes, there is a gap in the spectrum. If we put the chemical potential at the
energy of the Weyl nodes, we can consider the state obtained by filling all the
negative energy states. By studying how this state evolves as a function of the crystal
momentum, we define the Berry phase and the Berry flux B ( k ) = ∇k × A ( k ) . The
Weyl nodes here are the sources of this flux ∇ B( k ) = ± δ3 ( k − k ± ) .
Since the Weyl nodes can be thought of as sources and sinks of Berry
phase monopoles, there is a flux penetrating all the two-dimensional layers between
the nodes. All these layers have non-zero Chern number, whereas two-dimensional
planes not between the nodes have zero Chern number. So the two-dimensional
planes between the nodes are like quantum Hall planes, and they all exhibit integer
quantum Hall effect and have edge states. In other words, for each value of k x
between the Weyl nodes,we have a Chern insulator. This is precisely the reason that
there is an anomalous Hall effect proportional to the separation between the Weyl
nodes. The Fermi arc is just the line that one gets by stringing the edge states of the
Chern insulator together and clearly these states only exist between the Weyl nodes.
This is illustrated in Fig. It also clear from the figure that surface states can only exist
on the x-y and x-z planes. No surface states exist on the y-z planes since the
separation between the Weyl nodes is along the x-axis.
Now I will go through the reason behind of using CoFeGe and FeMnGe for
anamolous Hall effect.
Figure 1 (color online) Calculated total energy of CoFeGe as a function of the lattice
constants for magnetic and nonmagnetic states
In the first step, the lattice constants were determined. The total energies
forXYZ compounds as a function of the lattice constant for both nonmagnetic state
and magnetic states are calculated. The magnetic state is found to be more stable in
energy than the nonmagnetic one. The equilibrium lattice constants were derived by
minimizing the total energy. As an example, the lattice constant dependence of the
total energy for CoFeGe is shown in Fig. 1. The predicted equilibrium lattice
constants and the energy differences between the magnetic and nonmagnetic states
are summarized in Table 1. We further calculate the total density of states (DOS) in
the magnetic state with the equilibrium lattice constants. Fig. 2 and Fig. 3(b) presents
the spin-polarized DOSs of the nine compounds at their equilibrium lattice constants.
For these nine compounds, the electronic states in the majority-spin band are
metallic, and there is an energy gap at the Fermi level for the minority-spin band. So
they are half-metals. Furthermore, the calculated total magnetic moment per formula
unit (see Table 1) is integral, which is a typical characteristic of half-metallic(HM)
ferromagnets .
In order to investigate the electronic structure in detail, we further
show the spin-polarized band structure for FeMnGe in Fig. 4. In the majority-spin
bands, at about -3.0 eV the two fully-filled Γ 12 bands mainly originate from the
hybridized d-eg electrons of Fe and Mn (Here, the three Γ 15 bands originating from p
electrons of Ge overlap with them). The higher three fully-filled Γ 15 bands at about
-2.0 eV mainly originate from the hybridized d-t2g electrons of Fe and Mn. The two
narrow Γ12 bands crossing the Fermi level are mainly occupied by the d-e g electrons
of Fe and Mn. On the other hand, in the minority-spin bands the three Γ 15 bands just
below E F are created by the bonding t2g states of Fe and Mn with a small part of Ge p
states. Above the Fermi level the two narrow antibonding Γ 12 bands and three
antibonding Γ15 bands can be found. The covalent hybridization between the 3d states
of the Fe and Mn atoms pushes the minority-spin Γ 12 bands above the Fermi level,
opening the minority-spin energy gap at the Fermi level, and meanwhile pulls the
majority-spinΓ12 bands cross the Fermi level, showing metallicity in the majority-spin
bands, which results in the HM ferromagnetism in FeMnGe. In the minority-spin
band structure of FeMnGe, the valence band maximum (VBM) is at the W-point and
the conduction band minimum (CBM) at the X-point. Thus, the minority-spin band
structure shows semiconducting behavior with an indirect energy gap. The band gap
energies for these nine compounds are summarized in Table 1.Thus it is expected that
they would be used in spintronic applications.
5.Sample preparation
(c) SEM
The scanning electron microscope (SEM) uses a focused beam of high-
energy electrons to generate a variety of signals at the surface of solid specimens. The
signals that derive from electron sample interaction reveal information about the
sample including external morphology (texture), chemical composition, and
crystalline structure and orientation of materials making up the sample. In most
applications, data are collected over a selected area of the surface of the sample, and a
2-dimensional image is generated that displays spatial variations in these properties.
Areas ranging from approximately 1 cm to 5 microns in width can be imaged in a
scanning mode using conventional SEM techniques (magnification ranging from 20X
to approximately 30,000X, spatial resolution of 50 to 100 nm). The SEM is also
capable of performing analyses of selected point locations on the sample; this
approach is especially useful in qualitatively or semi-quantitatively determining
chemical compositions , crystalline structure, and crystal orientations . Accelerated
electrons in an SEM carry significant amounts of kinetic energy, and this energy is
dissipated as a variety of signals produced by electron sample interaction when the
incident electrons are decelerated in the solid sample. These signals include
secondary electrons (that produce SEM images), backscattered electrons diffracted
backscattered electrons (that are used to determine crystal structures and orientations
of minerals), photons (that are used for elemental analysis and continuum X-rays),
visible light and heat. Secondary electrons and backscattered electrons are commonly
used for imaging samples: secondary electrons are most valuable for showing
morphology and topography on samples and backscattered electrons are most
valuable for illustrating contrasts in composition in multiphase samples (i.e. for rapid
phase discrimination). X-ray generation is produced by inelastic collisions of the
incident electrons with electrons in discrete ortitals (shells) of atoms in the sample.
As the excited electrons return to lower energy states, they yield X-rays that are of a
fixed wavelength (that is related to the difference in energy levels of electrons in
different shells for a given element). Thus, characteristic X-rays are produced for
each element in a mineral that is "excited" by the electron beam. SEM analysis is
considered to be "non-destructive"; that is, x-rays generated by electron interactions
do not lead to volume loss of the sample, so it is possible to analyze the same
materials repeatedly. Essential components are:
(a)electron source(gun)
(b)electron lenses
(c)sample stage
(d)detectors for all signals of interest
(e)data output device
(f)power supply
(g)vacuum system
(h)cooling system
(i)vibration free floor
• Versatile sample mounts couple easily to the 12 electrical leads built into
the cryostat insert.
• The PPMS is controlled by the Model 6000, a sophisticated
microprocessor-controlled device that eliminates the need to use or
purchase external bridges, current or voltage sources, or lock-in
amplifiers.
• Continuous Low-Temperature Control – maintains temperature below 4.2
K and offers smooth temperature transitions when warming and cooling
through 4.2 K.
• Temperature Sweep Mode.
(e)SQUID
SQUID MPMS measures M-T ,M-H curve of samples.It is so sensitive that
it can catch data in low magnetic field.
Its features are-
• cryogen free with evercool
• SQUID sensitivity
• multiple measurement modes
• Tempearture range 1.8-400K
• 7 Tesla magnet
We did XRD of CoFeGe and FeMnGe .In CoFeGe sample hexagonal structure
is verified.To confirm it we also did SEM and saw structure is hexagonal.
In FeMnGe three extra peaks are observed in XRD image due to small
impurity.To confirm it we did SEM and observed there is additional phase in
sample.For XRD we made powder of sample and then paste it on glass film.For SEM
we used rectangular shaped sample after polishing with diamond pest.EDX was not
available in SEM so we did not do EDX of materials.
Fig. 1-XRD pattern of CoFeGe
Fig.2-XRD
pattern of
FeMnGe
Fig.3(a)-SEM of CoFeGe
Fig.3(b)-SEM of CoFeGe
Fig.4(a)-SEM of FeMnGe
Fig.4(b)-SEM of FeMnGe
M-T and M-H measurement
We did M-T and M-h measuremnt of both samples in SQUID.Here is the
data.
For measurement of CoFeGe we took 0.019 gm of sample and set the magnetic field
at 1000 Oe for different temperatures.We got transition temperature at 225K which
may not be curie temperature bacause at high temperature we are getting M-H loop
which shows ferromagnetic phase .so we will further study about this in future.
After that we did M-H plotting for 3K,150K and 300K for different
magnetic field values.Here we are getting M-H loop after transition temperature.
Fig-M-H curve of CoFeGe at 3K,150K,300K
Fig-M-H
loop of
FeMnGe
at3K,300K,380K
Anomalous Hall Measurement
For anomalous hall measurement we cut sample in rectangular shape and
polished surface.We did Hall measurent of CoFeGe only.Its length is 3.95mm,breadth
is 1.60mm and thickness is 2.08mm.We did contact for it and placed in PPMS at
2K,22K,300K.
6.Conclusion
We performed experiment of CoFeGe and FeMnGe.In CoFeGe we obtained
very much fluctuations in graph and Hall conductivity is also Very low.So we will
further make new connection to it for Hall measurement.In FeMnGe we are getting
impurity so we will prepare single phase sample and measure Hall conductivity.
ACKNOWLEDGEMENT
Firstly, I would like to thank, Dr. Ajaya Kumar Nayak for guiding me, giving me a
chance to do independent research at NISER, providing me all experimental facilities,
introducing me to the basic concepts of Anomalous Hall Effect and helping me
throughout the project.I am indebted to Mr. Charanpreet, Mr. Subir, Dr. Subhendu
and Mr. Bimlesh,Ms Dola,Mr.Pradeep,Mr.Jamal for their considerable help and
assistance throughout this summer project work.Without their help I can not complete
my project .
REFERENCES-
8.Spin chirality induced skew scattering and anomalous Hall effect in chiral magnets
Hiroaki Ishizuka and Naoto Nagaosa