Thermally Driven Topology in Chiral Magnets
Wen-Tao Hou, Jie-Xiang Yu, Morgan Daly, Jiadong Zang

TL;DR
This paper investigates how thermal fluctuations influence the topological properties of chiral magnets, revealing an unexpected increase in topological charge at high fields and temperatures through Monte Carlo simulations and theoretical analysis.
Contribution
It introduces a Monte Carlo approach to study thermal effects on topology in chiral magnets and explains the observed phenomena using a $CP^{1}$ field-theoretic framework.
Findings
Topological charge increases unexpectedly at high fields and temperatures.
Thermal fluctuations at atomic scale significantly affect magnetic topology.
A physical model based on lattice triangulation explains the topological upturn.
Abstract
Chiral magnets give rise to the anti-symmetric Dzyaloshinskii-Moriya (DM) interaction, which induces topological nontrivial textures such as magnetic skyrmions. The topology is characterized by integer values of the topological charge. In this work, we performed the Monte-Carlo calculation of a two-dimensional model of the chiral magnet. A surprising upturn of the topological charge is identified at high fields and high temperatures. This upturn is closely related to thermal fluctuations at the atomic scale, and is explained by a simple physical picture based on triangulation of the lattice. This emergent topology is also explained by a field-theoretic analysis using formalism.
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Taxonomy
TopicsScientific Research and Discoveries · Magnetic Properties of Alloys · Magnetic properties of thin films
Thermally driven topology in chiral magnets
Wen-Tao Hou
Department of Physics, Boston College, Chestnut Hill, Massachusetts 02467, USA
Department of Physics, University of New Hampshire, Durham, New Hampshire 03824, USA
Jie-Xiang Yu
Department of Physics, University of New Hampshire, Durham, New Hampshire 03824, USA
Morgan Daly
Department of Physics, University of New Hampshire, Durham, New Hampshire 03824, USA
Jiadong Zang
Department of Physics, University of New Hampshire, Durham, New Hampshire 03824, USA
Abstract
Chiral magnets give rise to the anti-symmetric Dzyaloshinskii-Moriya (DM) interaction, which induces topological nontrivial textures such as magnetic skyrmions. The topology is characterized by integer values of the topological charge. In this work, we performed the Monte-Carlo calculation of a two-dimensional model of the chiral magnet. A surprising upturn of the topological charge is identified at high fields and high temperatures. This upturn is closely related to thermal fluctuations at the atomic scale, and is explained by a simple physical picture based on triangulation of the lattice. This emergent topology is also explained by a field-theoretic analysis using formalism.
pacs:
75.10.Hk, 75.25.-j, 75.30.Kz, 75.50.Bb
The marriage of topology and condensed matter physics has given birth to numerous excitements in the past decades. In particular, magnetism, the zoo of topological spin textures, such as domain walls, vortices and Bloch points, not only gives rise to rich physics, but also leads to transformative spintronics applications. The recently discovered magnetic skyrmion is a new member of such topological texturesBogdanov1994 ; Muhlbauer_2009 ; Yu_2010_nat ; Yu_2010_nmat . It is a two dimensional (2D) whirlpool-like structure with spins therein pointing to all directions. It has one-to-one correspondence to the three dimensional monopole defect by the stereographic mapping. Topology of the skyrmion can be captured by the topological charge (TC)Rajaraman ; Nagaosa2013
[TABLE]
where is a unit vector describing the local spin direction. It is valued for each skyrmion, and cannot be altered by slight deformation of the texture configuration. As a result of this nontrivial topology, the skyrmion acquires novel properties, such as the topological Hall effect and the skyrmion Hall effectNeubauer_2009 ; Yi_2009 ; Zang_2011 ; Litzius2017 ; Jiang2017 , which have potential in future topological devicesFert2013 .
The magnetic skyrmion was originally proposed theoretically in noncentrosymmetric magnetsBogdanov1994 ; Bogdanov1989a ; Bogdanov1989b ; Rossler and its crystal form was recently discovered in bulk sample of MnSi, a typical family of noncentrosymmetric magnets, by small angle neutron scatteringMuhlbauer_2009 . It was later confirmed in (FeCo)Si thin film by real space imaging with Lorentz transmission electron microscopyYu_2010_nat . The skyrmion crystal phase in the thin film is greatly extended in the - diagram (where is magnetic field and is temperature) compared to the bulk sample, which has been further addressed by follow-up experimentsYu_2010_nmat . This is because of the suppression of the conical phase in thin films. But nevertheless, skyrmions still exist only below the Curie temperature.
In the skyrmion crystal phase, the TC is significant and essentially counts the number of skyrmions therein. But TC in Eq.[1] respects the rotational symmetry, so that it cannot serve as an order parameter, and does not have correspondence to the crystal phase. It is interesting to study the distribution of TC in the same - phase diagram. To this end, we used the Monte Carlo method in this work and studied the distribution of the TC. It is significantly extended compared to the skyrmion crystal phase, and can be explained by modelingCP1-skyrmion ; Auerbach .
We studied a 2D film of chiral magnet, whose Hamiltonian is described by the following classical spin model
[TABLE]
where is the spin on site with , a three dimensional unit vector, and means the nearest neighbors. In the Monte Carlo calculation, and a square lattice is employed. is the ferromagnetic Heisenberg exchange coupling, while is the vector of the DM interaction between neighboring sites and . The strength of DM interaction is . The last term describes the Zeeman coupling, where is the magnetic moment and is the applied magnetic field along direction. We define and choose the natural units (). It has been confirmed that this simple Hamiltonian captures most essential physics of 2D chiral magnetsYu_2010_nat ; CP1-skyrmion ; Dupe_2016 .
To calculate the thermal average of the TC, we triangulated the square lattice. Summation over all the solid angles of three spins on each triangle divided by gives the total TC for each spin configuration. is computed by the Berg formulaBerg_1981 :
[TABLE]
where , and are three spins on the triangle and is the normalization factor. The Metropolis Metropolis_1949 and over-relaxation algorithm are employed iteratively to generate a Markov chain of spin configurationsMetropolis_1949 ; Creutz1987 , averaging over which thermal average of the TC was derived. We imposed periodic boundary conditions and performed averaged over ensembles at each temperature. The main results of the TCs are shown in Fig. 2(a). It shows the color plot of the average TC in the - diagram with the fixed DM interaction as . A dramatic upturn of the TC is addressed along a ridge in the phase diagram. The value of the TC is significant in areas greatly extended to the skyrmion phase, which is located at small and low in the bottom region of the ridge.
Special attentions are paid to the high field region, where no skyrmions are expected. As a typical example, we fix the field at , and the relation between average TC and temperature is shown in Fig. 2(b). At very low temperature, TC is equal to zero, as all spins are nearly polarized. At very high temperature, TC again converges to zero due to the topological triviality of a completely random phase. However, in between, TC becomes significantly elevated at finite temperatures. A deep dip of the TC is witnessed around , the Curie temperature of the corresponding Heisenberg model. Here, the negative TC is consistent with the fact that the spin at the skyrmion core is opposite to the external magnetic field. The same calculations were performed for lattices with sizes varying from to . No difference could be found between different lattice sizes. This immunity to the finite size effect suggests robustness of the TC upturn, which might be related to the scaling-free atomic scale physics.
This emergent topology at finite temperatures does not correspond to any ordered phase such as the skyrmion crystal phase (SkX) or meron-helix composite. Two snapshots of spin states around the ridge were taken, as shown in Fig. 3(a) and (b). Location of their corresponding parameters are labeled by the same letter in the - phase diagram in Fig. 2. At point A to the right of the ridge, , , and the total TC is about -12 in a lattice. However, the real space image shown in Fig. 3(a) is completely random. Fast Fourier transformation of the image provides only one peak at point in the reciprocal space. This indicates the uniform randomness and absence of any spin ordering at this point. For point B to the left, where the temperature is relatively lower, the corresponding real space snapshot in Fig. 3(b) shows similar randomness with a single peak at the point of the reciprocal space. Compared to point A, a higher spin polarization parallel with the field is achieved here. From zero temperature to points A or B of interest, no phase transition occurs. The emergence of TC is thus purely a consequence of the thermal fluctuation.
In contrast, TCs at low field, especially at low temperatures, have distinct origin. Our Monte Carlo simulation shows that the TC grows significantly around during the annealing procedure and remains stable to zero temperature. It is attributed to the formation of the skyrmion crystal phase. A typical snapshot was taken at point C with and [Fig. 3(c)]. The real space image shows a well aligned skyrmion lattice, and the reciprocal space shows the hexagonal pattern as expected. At the same field, if the temperature is elevated to point D, the snapshot in 3(d) does not present any ordering, although the TC remains significant. Densities of the TC for C and D points are ploted in Fig. 3(c) and Fig. 3(d) for comparison. Non-zero TC emerges only near the skyrmion in the ordered skyrmion phase, while it is evenly distributed in the high temperature state. At a relatively higher field at point E [Fig. 3(e)], the skyrmion crystal is melted and sparse skyrmions are observed. While at a lower field at point F, the transition from skyrmion crystal phase to the helical phase takes place, and a meron-helix composite appears at this first order phase transition. In all these regions at low temperatures, the TC is consistent with the number of skyrmions in the lattice. Thermal fluctuation induced TC is suppressed. These low-field low-temperature results are consistent with previous studiesYi_2009 ; Buhrandt_2013 .
As indicated by its scaling-free property, origin of the thermally driven topology can be understood by a simple physical picture on the atomic scale. As defined earlier, TC is the summation of solid angles of all triangles in the lattice. Due to the presence of the DM interaction, these three spins in each triangle are canted, as shown in Fig. 1, and contribute a solid angle of . If we reverse all three spins, the new configuration cants an opposite solid angle . In the absence of the field, these two configurations share the same energy, as both the Heisenberg and DM interactions are quadratic spin interactions. These two configurations thus have the same probability of appearance at any temperature, and the average TC is zero. However, these two configurations, being time reversal to each other, share opposite magnetizations. An external magnetic field can thus lift the degeneracy and induce a net TC after thermal averaging. One needs to be aware that under large enough field, canting of spin takes place only when the temperature approaches the Curie temperature, far below which the polarized state is robust and the average TC is zero. On the other hand, at very high field, the energy difference induced by the field is no longer relevant, and average TC decays to zero as well. This well explains the behavior of TC in Fig. 2(b).
We can even convey this physical picture in a relatively quantitative way. Again, focus on a triangle in the lattice with three spins , and on the vertices. Notice that and are not a pair of nearest neighbors, so no direct exchange exists between them in our model. The energy of this triangle is thus given by
[TABLE]
In the small canting approximation, TC defined in Eq. (3) is simplified as . Thermal average of TC is \langle Q\rangle=\text{\frac{1}{\mathcal{Z}}}\int\prod_{i}d{\bf n}_{i}Q\exp(-\frac{E}{T}), where is the partition function. At the high temperature limit, , we can expand the Boltzmann distribution in terms of polynomials of . As a result, . The leading two orders of vanish because one cannot pair up all and their components into even powers. The leading non-zero term is the third order terms of , where non-zero terms are listed in the Supplementary Materials Supp . As a result, the average TC is proportional to . That is reasonable because the TC respects spatial inversion symmetry but breaks the time reversal symmetry; the former requires TC to be proportional to squared, which is spatial inversion odd, while the latter enforces linear proportionality between TC and , which is time reversal odd. No lower order term could meet this symmetry requirement. This scaling is consistent with the numerical simulation. As shown in the inset of Fig. 2(b), the TC is truly proportional to the field at high temperatures. The relation between TC and temperature is examined at various values [Fig. 2(c)]. A scaling between peak value of TC and is shown in the inset, and a perfect quadratic relation between them is identified. This quadratic relation is persistent all the way to high temperatures.
Up to now, our handwaving argument is based on only one triangle. A complete analysis is developed in terms of the formalism of the spin model. In the continuum limit, the Hamiltonian is given by , where and , , and with finite value of recovered. is the lattice constant. A normalized two-component complex field is introduced and let , where are Pauli matrices. In this representation, the Hamiltonian can be written in terms of a doublet field given by
[TABLE]
where and CP1-skyrmion . is the emergent U(1) gauge field, whose total flux is nothing but the topological charge defined in Eq. (1):
[TABLE]
Due to the -dependence of , the Hamiltonian has quartic terms of , so the integration over cannot be performed straightforwardly in the partition function . Therefore, we rescale the field , , define , and perform the Hubbard-Stratonovich transformationAuerbach ; Supp , ending up with the partition function:
[TABLE]
in which and are now two independent dynamical variables. A Lagrange multiplier field is introduced to enforce the normalization of .
The basic idea in what follows is to integrate out the field, and get an effective theory in terms of the gauge field . The gauge invariance requirement gives rise to only two possible terms up to the second order of in the effective action. One is with the topological charge density, and the other is . A saddle point solution of thus gives the average value of the TC density proportional to the field , consistent with the discussions above. To work it out, a perturbation approach is employedOleg ; Sachdev . In momentum space, the unperturbed part of the action in Eq. (7) is
[TABLE]
where is the area of the 2D film we considered. The corresponding Feynman diagram is shown in Fig. 4(a). The mass is determined by the saddle point approximation. Denote the partition function in Eq. (7) by . A uniform saddle point solution and solves , and we finally get , where is the ultraviolet cutoff in Pauli-Villars regulation schemeSupp .
The perturbative part of the action in Eq. (7) is divided into two terms
[TABLE]
The Feynman diagram Fig. 4(b) corresponds to , where the spring line represents the part in the three-point vertex. Fig. 4(c) is four point interaction in . The tilde line represents the pure emergent gauge field of the four-point vertex. The first order perturbation from , shown by the diagram Fig. 4(d), contributes to a term . We don’t consider the quadratic term of at and higher order because . In contrast, the first order perturbation of is a vanishing tadpole diagram. The lowest contribution is the second order perturbation depicted in Fig. 4(e). can be split into two parts, correspond to the term and which includes the term. Combining with , we get the gauge invariant term as expected:
[TABLE]
The expected term also arises from the second order perturbation. The leading term of in is
[TABLE]
and the effective action is therefore . Solving the saddle point of the field , we obtain
[TABLE]
The thermal average of the TC at the high temperature limit is
[TABLE]
where is the DM interaction in the continuum limit. This result matches well with the simple argument based on one triangle. Actually, if we further proceed to the fourth order of in the single triangle argument, a term proportional to is present, but its sign is opposite to the term. The emergent topology at finite temperature can be thus well explained by this effective theory of the emergent gauge field.
In conclusion, we have discovered thermally driven topology in 2D chiral magnets. A significant upturn of TC was observed outside the skyrmion crystal phase. This phenomena is well understood by both analyzing thermal fluctuations in the atomic scales and field theoretical approach based on formalism. As has been extensively studied in the skyrmion physics, non-zero TC would lead to the topological Hall effect, which was observed in the skyrmion crystal phase onlyNeubauer_2009 ; Huang2012 ; Li_2013 . The discrepancy between the topological Hall signal and distribution of the TC observed in this work is due to the itinerant nature of the magnetism in most chiral magnets under investigation. Close to or above the Curie temperature, the local magnetic moment in these magnets is significantly reduced so that our simulation based on constant local magnetic moment does not apply. Only in insulating magnets such as Cu2OSeO3Seki2012 , local magnetic moments are persistent at elevated temperatures, and our discovery would apply. On the other hand, the thermal Hall effect related to the to the magnon deflection by TC has been addressed in frustrated magnetsOnose_2010 ; Hirschberger2015 ; Lee2015 and chiral magnets Mochizuki2014 ; Iwasaki . We therefore predict the thermal Hall effect of insulating chiral magnets, in which local magnetic moments are persistent at high fields and temperatures. Actually the phenomenon of thermally driven topology can be even generalized to ferroelectricsadd001 , and we would expect rich experimental observations will come out in the future.
Upon finishing this work, we noticed that similar behavior of the topological charge was recently studied by Levente Rzsa et al.R_zsa_2016 and Mohit Randeria. Both of them studied the skyrmion crystal phase rather than the high field case we are emphasizing in this work. We also noticed a recent workadd002 which addressed the similar phenomenon in terms of skyrmion-antiskyrmion formations. We acknowledge initial discussions with Jung Hoon Han, Oleg Tchernyshyov and Di Xiao. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) under Award No. DE-SC0016424.
Quantitative analysis on a single triangle in the lattice
subsection*Quantitative analysis on a single triangle in the lattice
The energy of a single triangle consisting of spins , and as shown in Fig.1 of the main text, is given by
[TABLE]
where are the normalized spin vectors. Topological charge (TC) is defined as , and has a thermal average , where is the partition function. In the high temperature limit, , we can expand the thermal average of the TC as . Using the parameterization of normalized spin vectors, , the replacement can be made, where . Nonzero terms in the polynomial expansion of must include and their components with even powers, of which, the leading two orders vanish, since at these orders, cannot be paired with their components into even powers. All the nonzero contributions of order and are given by:
[TABLE]
The signs are determined by the number of times and are exchanged. After adding together the terms of each order, it is found that the contribution to the TC from order is positive, and order is negative. The flipping triangle with , and has the opposite contributions to the TC.
The energy in the continuum limit and the Hubbard-Stratonovich transformation
We consider an square lattice system with a lattice constant , and continuum limit energy
[TABLE]
where , , , and . is the Heisenberg interaction, is the DM interaction and is the applied magnetic field along the axis. In the model, and is a two component spinor. The energy density is
[TABLE]
where . We perform the Hubbard-Stratonovich transformation to decouple the quartic terms of field . In the representation, the partition function is
[TABLE]
where is the emergent gauge field mentioned in the main text and . We can transform the partition function with quadratic terms of ,
[TABLE]
After integrating the fields out, the partition function becomes
[TABLE]
where is a constant from the integration. The effective Hamiltonian is
[TABLE]
which is as same as Eqn.(19).
Mean field approximation of the constraint field
We extend the model to the model in which the field has flavors and . The fields can be rescaled as and define , and . The partition function transforms into
[TABLE]
After integrating out the field , the partition function has the form , where
[TABLE]
and is a constant. When we consider the \mathcal{N}\rightarrow$$\infty limit, the effective action can be approximated by the quadratic fluctuation around the saddle point. The saddle point is . We can ignore the Zeeman coupling term in the large limit with a finite temperature, since when . The effective action around saddle point in momentum space is
[TABLE]
where is the area of the space. Here, we use the relationships and to work out the trace. By replacing by , we can obtain
[TABLE]
If we consider a finite size system, the momentum in the integral has a cutoff . Based on the assumption that , the saddle point equation transforms into
[TABLE]
where the second term on the left side can be neglected. Turning back to the model, the solution has a simple form
[TABLE]
where . This is the momentum cutoff schemeCutoff (1). We can also employ the Pauli-Villars regularization, which protects the gauge symmetry and translational symmetry. We integral over from to , and replace by , where is the cutoff. The solution in Pauli-Villars regularization is
[TABLE]
In the momentum cutoff scheme, there is no need to assume , so we can use this model when is comparable with the cut-off . In the very low temperature region , we also get ; therefore, at low temperature, works in both schemes.
Perturbative Calculation
In momentum space, the action can be split into the unperturbed part, , and perturbed parts, , and
[TABLE]
where we treat the applied field as a local field. The Green’s function of the field is . As discussed in the main text, Fig.4(b) corresponds to the interaction described by . In the perturbative calculation, we replace by , and the action described by the process in Fig.4(d) is
[TABLE]
where the terms of order and higher can be neglected, since . Pauli-Villars regularization is applied to the divergent integral,
[TABLE]
so that
[TABLE]
The process in Fig4.(e) corresponds to the action
[TABLE]
The term is neglected due to the same reason in , and the term is neglected because it decouples with .
We employ Feynman parametrization to work out the integrals
[TABLE]
with
[TABLE]
where and . is divided into two parts,
[TABLE]
where the integral in is divergent. Pauli-Villars regularization is again applied to deduct the divergent part
[TABLE]
where ,
[TABLE]
and
[TABLE]
The gauge violation terms in and cancel with each other and we can expand to the order of ,
[TABLE]
In the main text, and has the same form as
[TABLE]
where . By using the result in Eqn.(30),
[TABLE]
The effective action of the term in is
[TABLE]
where can be replaced by in integralPeskin (2). Following the procedure of the Feynman parametrization used above,
[TABLE]
We consider a finite size system which requires that the momentum has bounds in the integral. Applying the momentum cutoff scheme to work out the integral gives
[TABLE]
Expanding the action to the order ,
[TABLE]
and are added together, and in position space gives,
[TABLE]
Here, we can simply set . Ignoring the fluctuation of the , the average value of is obtained through the saddle point equation ,
[TABLE]
The result in Eqn.(29) is applied to obtain as a function of temperature,
[TABLE]
At the high temperature limit(, we can expand the by the order of ,
[TABLE]
The average of TC at very high temperature can be approximated as
[TABLE]
By using the parameters in the lattice Hamiltonian with , we have
[TABLE]
where is the DM interaction in the continuum limit.
Discussion
The result by using the model at high temperatures is consistent with the quantitative analysis of a single triangle in the lattice. When we expand the average of the TC at high temperature limit, we find that the order has the opposite sign of the order term and is proportional to . We employed the Pauli-Villars regularization to calculate the effective action including the quadratic terms of , since we need to prove that it is gauge invariant and find term, which is the term. The momentum cutoff scheme is not proper for , since it breaks the gauge symmetry, but is gauge invariant because and are gauge invariant. In finite size systems, there exists the bound of momentum. Without considering the gauge invariance of terms, the momentum cutoff scheme is applied to obtain the effective action of . We replace by for the approximation of the TC because we only need to know how the TC evolves with the temperature. Also in momentum cutoff scheme, we do not need to assume , so we can extend the temperature region, since it is not limited by , and the temperature constraint only comes from the large approximation of solving the saddle point equation. This is the reason why we can perform this model in a relatively high temperature region.
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