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Numerical Studies on Antiferromagnetic Skyrmions in Nanodisks by Means of A New Quantum Simulation Approach PDF

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Numerical Studies on Antiferromagnetic Skyrmions in Nanodisks by Means of A New Quantum Simulation Approach Zhaosen Liua,b∗, Hou Ianb† aDepartment of Applied Physics, Nanjing University of Information Science and Technology, Nanjing 210044, China bInstitute of Applied Physics and Materials Engineering, FST, University of Macau, Macau We employ a self-consistent simulation approach based on quantum physics here to study the magnetism of antiferromagnetic skyrmions formed on manolayer nanodisk planes. We find that if 6 thedisk is small and theDzyaloshinsky-Moriya (DM) interaction is weak, a single magnetic vortex 1 may be formed on the disk plane. In such a case, when uniaxial anisotropy normal to the disk 0 2 plane is further considered, the magnetic configuration remains unchanged, but the magnetization isenhancedinthatdirection,andreducedinothertwoperpendicularorientations. Verysimilarly,a n weak external magnetic field normal to thedisk plane cannot obviously affect the spin structure of a thenanodisk; however, when it is sufficiently strong, it can destroy theAFM skyrmion completely. J Ontheotherhand,byincreasingDMinteractionsothatthediskdiameterisafewtimeslargerthan 0 the DM length, more self-organized magnetic domains, such as vortices and strips, will be formed 2 in the disk plane. They evolve with decreasing temperature, however always symmetric about a geometricaxisofthesquareunitcell. Wefurtherfindthatinthiscaseintroducingnormalmagnetic ] l anisotropy givesrisetothere-construction ofAFMsingle-vortex structureorskyrmion onthedisk al plane, which provides a way to create and/or stabilize such spin texturein experiment. h - PACSnumbers: 75.40.Mg,75.10.Jm s e m I. INTRODUCTION Skyrmionshavebeenpredictedtoappearintheground . stateofdopedantiferromagneticinsulators[18–20]. How- t a ever, it is difficult to identify these isolated skyrmions. m The concepts of skyrmions were originally introduced Neutron scattering, for example, would not be an effec- by a particle physicist, Tony Skyrme, to describe the lo- - tive probe, since these skyrmions do not form a lattice, d calized, particle-like structures in the field of pion parti- whereas their signatures on transport may be screened n cles in the early 1960s [1]. About 30 years later, Bog- o danov and Yablonskii theoretically predicted [2] that by the insulating characterof the carriers[21]. Basedon c their experimental observation, Raiˇcvi´c et al. concluded theycouldexistinmagnetswhenachiralDzyaloshinsky- [ that the low-temperature magnetic and transport prop- Moriya (DM) interaction [3–5] is present. Indeed, it was 1 laterfoundinexperimentsthatmagneticskyrmionsexist erties of the AFM La2Cu1−xLixO4 providedthe first ex- v perimentalsupportforthepresenceofskyrmionsinAFM 0 in helical magnets, such as MnSi and Fe1−xCoxSi [6–8], insulators. and DM interaction favors canted spin configuration [6– 7 16]. Most skyrmions found in helimagnets were induced Recently,Huangetal. [22]simulatedthecreationpro- 1 5 by an external magnetic field at low temperatures [6– cessofskyrmioninatwo-dimensional(2D)antiferromag- 0 8,17]. Forexample,Heinzeetal. [10]observedasponta- netic system to investigate the dynamics of the created . neous atomic-scale magnetic ground-state skyrmion lat- skyrmions, and observed stable skyrmions even at long 1 tice in a mono-layer Fe film at a low temperature about time scales. So far, many researchers have done exten- 0 6 11K.However,Yu et al. [7]obtaineda skyrmioncrystal sivestudiesonthestaticpropertiesof2DFMskyrmions. 1 near room-temperature in FeGe with a high transition Therefore,itisobviouslynecessaryandmeaningfultoin- : temperature (280 K) by applying a magnetic field. vestigate how the magnetism of the 2D AFM skyrmions v areinfluenced by externalmagnetic field, Heisbenerg ex- i Sofar,ferromagnetic(FM)skyrmionshavebeeninten- X change, anisotropic and DM interactions, so as to find sivelyinvestigatedboththeoreticallyandexperimentally. r However, the DM interaction is more generally found in ways to create or stabilize the AFM skyrmion in experi- a ments. For the purpose, this work has been done. antiferromagnetic (AFM) materials than ferromagnetic materials. Most recent experiments on FM skyrmions In a just finished work [23], we investigated the mag- rely on the presence of the interfacial DM interaction to netic and thermodynamic properties of mono-layer nan- stabilize skyrmions. In contrast, bulk DM interaction is odisks with the co-exitance of DM and FM Heisenberg more prevalent in antiferromagnets [3, 5], and they are interactions by means of a new quantum simulation ap- considerably more abundant in nature than ferromag- proach we develop in recent years [24, 25]. We found nets. there that the chirality of the single magnetic vortex on a small nanodisk is only determined by the sign of DM interaction parameter, no matter an external magnetic field is absent or applied normal to the disk plane, how- ∗Email: [email protected] evertheappliedmagneticfieldperpendiculartothedisk- †Email: [email protected] plane is able to stabilize the vortex structure and induce 2 skyrmions [6–8, 17]. energy [24, 25]. Thus, as a computational code imple- In the present work, the new quantum simulation ap- mented with this algorithm runs, all magnetic moments proachisappliedtoAFMmono-layernanodiskswiththe in the sample are rotatedand their magnitudes adjusted co-existence of Heiseinberg and DM interaction as well. bythelocaleffectivemagneticfieldtominimizethetotal We find that for small disk of weak DM interaction, sin- (free) energyofthe whole nanosystemspontaneouslyac- gle AFM skyrmion is always formed on the disk plane. cordingto the lawofleast(free)energy,sothatthe code Further inclusion of uniaxial anisotropy or weak exter- can finally converge down to the equilibrium state auto- nal magnetic field normal to the disk plane causes no matically without the need to minimize the total (free) obvious change in the spin configuration, but they do energy elaborately in every simulation step. enhance the magnetization in that direction and reduce All of our recent simulations are started from a ran- the other two in-plane components. However, if this ap- dommagneticconfigurationandfromatemperaturewell plied magnetic field is strong enough, the in-plane AFM abovethemagnetictransitiontemperatureT ,thencar- M Skyrmion will be completely destroyed. Moreover, by riedoutstepwisedowntoverylowtemperatureswithan increasing the DM interaction, more self-organizedmag- iteration step ∆T < 0. At any temperature, if the dif- neticdomainswillappearonthediskplane. Theyevolve ference (|hS~′i−hS~ i|)/|hS~ i| between two successive iter- i i i with varying temperature, but always symmetric about ationsfor everyspinis lessthan averysmallgivenvalue a geometric axis of the square unit cell. In this case, an τ0, convergency is believed to be reached. uniaxialmagnetic anisotropynormalto the disk plane is able to force the multi-domain structure merge to form a single AFM vortex. In another word, the anisotropy III. CALCULATED RESULTS can induce and/or stabilize the AFM skyrmion, which the experimentalists may be very interested. A. Simulations for Nanodisk without Uniaxial Anisotropy and External Magnetic Field II. MODELING AND COMPUTATIONAL To investigate the effects of DM interaction, the mag- ALGORITHM netic anisotropy was neglected in simulations at the be- ginning. And to visualize the spin configuration clearly, The Hamiltonian of this sort of nanosystems can be weconsideredaverytinyroundmono-layernanodisk,its written as [10, 26–34] radius R = 10a, where a is the side length of the square crystal unit cell, and the spins on the disks are assumed H= −1 J S~ ·S~ −D ~r ·(S~ ×S~ ) to be antiferromagnetically coupled uniformly. We per- 2Pi,j6=ih ij i j ij ij i j i formed simulations with the SCA approachby assigning 2 −K S~ ·nˆ −µ g B~ · S~ , (1) J to -1K andD to 0.1 K,respectively. To avoidmisun- APi(cid:16) i (cid:17) B S Pi i derstanding,weindicateherethatallparametersusedin this paper are scaled with Boltzmann constant k . where the first and second terms represents the Heisen- B berg exchange and DM interactions with strength of J Under the DM interaction, magnetic vortex is formed ij andD betweeneverypairofneighboringspinssittingat on the nanodisk, and owing to the antiferromagnetic ij thei-andj−thsites,respectively,thethirdtermdenotes Heisenberg interaction, each pair of neighboring spins theuniaxialanisotropyalongnˆ,assumedtobenormalto order oppositely both in-plane and out-plane below the the disk plane here, and the last one is the Zeeman en- transition temperature T ≈ 2.65 K as shown in Figure M ergy ofthe system within externalmagnetic field B~. For 1(a,b). simplicity,weconsiderinthecurrentworkaroundmono- Figure 2(a,b) display our calculated thermally aver- layer nanodisk consisting of S = 1 spins which interact antiferromagnetically only with their nearest neighbors aged hSzi, hSxi and hSyi for the nanodisk in the ab- uniformly, that is, J = J and D = D, across the senceofexternalmagneticfield. TheDMinteractionhas ij ij whole disk plane. In our model, the spins are quantum induced out-plane magnetic moments [35–38], which is operators instead of the classical vectors. Since S = 1, muchstrongerthantheothertwocomponentsatalltem- the matrices of the three spin components are given by peratures. The three components decay monotonously 0 √2 0 0 √2 0 with increasing temperature until the transition point Sx= 21 √2 0 √2 , Sy = 21i −√2 0 −√2(2) TM ≈ 2.65 K, and the saturated value of hSzi is approx-  0 √2 0   0 √2 0  imately 0.85 at very low temperatures, much less than the maximum value S = 1. 1 0 0   Sz = 0 0 0 Todescribethedetailedspinconfigurationonthenan- 0 0 1  odisk, two new quantities are introduced and defined as − A = |hS i|/N and A = hS i2+hS i2/N for the z z c xy x y c p respectively. out- and in-plane components, respectively. Here N (r) c Oursimulationapproach,whichisfacilitatedbyaself- is the spin number on the circle of radius r around the consistentalgorithm,socalledastheSCAapproach,was disk center. Figure 2(c,d) display their variations with assumed to be based on the principle of the least (free) changing r = |N | at four different temperatures. Natu- x 3 12 (a) T <= 2.5 K, J = -1 K, D = 0.1 K 12 (b) T <= 2.5 K, J = -1 K, D = 0.1 K 8 8 4 4 Ny Ny 0 0 -4 -4 -8 -8 -12 -12 -10 -8 -6 -4 -2 0 2 4 6 8 10 -12 -8 -4 0 4 8 12 Nx Nx Figure 1. The (a) xy,and (b) z components of calculated spin configurations projected onto the nanodisk plane. Here J = -1K, D =0.1 K,and R=10a, respectively. rally, the larger the radius, the more spins on the circle. to a temperature well above T as observed in experi- M In the inner region of the disk, A is very weaker than ments [6–8, 17]. So we naturally wonder if this rule still xy A . Thatis,thereinthespinaremainlyorientedantifer- holds true in the case of AFM nanodisks. z romagneticallyoutofthe plane,butslightlycantedfrom For the purpose, by assuming a magnetic field exerted the normal. Until r < 6a, while the radius increases, Az normal to the disk plane at T = 0.25 K, we did sim- decreasesbutAxy growsgradually. Thatis,asrincreases ulations for the AFM nanodisk with the spin structure the spins are rotated by the effective magnetic field to- calculatedatthattemperatureintheabsenceofexternal wards the plane, so that finally, within the marginal re- magnetic field as the input data. In this circumstance, gion of the disk the magnitudes of Az and Axy become the nanosystem is able to sustain the external influence comparable. tomaintainthevorticalstructureuntilB =0.3Teslaas z The total free energy F, total energy E, magnetic en- showninFig.4(a). However,whenB isfurtherincreased z tropy SM and specific heat CM of this sort of canonical to 0.4 Tesla,the spiralstructure is thus completely over- magnetic systems can be calculated with following for- come, whereas the in-plane components of the spins still mulas orderantiferromagneticallyinthe[-1,1,0]directionasde- picted in Fig.4(b). This behavior of the nanosystem is F =−kBT logZN, E =−∂∂β logZN , easy to understand. When the external magnetic field along the z direction is strong enough, the spins are un- E SM = T +kBlogZN, CM =T (cid:0)∂∂STM(cid:1)B , (3) able to alignantiferromagneticallyin the z directionany longer,as a result, the in-plane components cannot form successively,where β =1/(k T)andZ is the partition antiferromagnetic vortices either. That is, the forma- B N function of the whole system. Figure 3(a,b) display the tion of an FM (AFM) vortex in the disk plane depends F, E, S andC curvesobtainedbymeansofthe SCA strongly on the presence of a spatial region wherein the M M approachfortheAFMnanodisk. TheslopesofF,E and spins order ferromagnetically (antiferomagnetically) in S curveschangesuddenlynearT ,whicharethesigns the normal direction. M M of phase transition. However, the C curve now varies M smoothly around T , in contrastto the sharp peaks ob- M servedintheCM curvesnearTM’sofbulkmagnets. This C. Effect of Uniaxial Anisotropy fact suggests that the phase transition behavior of the nanosystem has been strongly modified by its finite size So far, we have not considered the influence of mag- and the spiral DM interaction. neticanisotropy. Tostudyitseffects,itisnowassumedto be along the z-directionto do further simulations. Since other parameters are kept unchanged, as expected, be- B. Effect of External Magnetic Field low T , hS i has been enhanced by the anisotropy, but M z both hS i and hS i are suppressed for the same reason, x y InourprevioussimulationsforFMnanodiskswithDM sothat the maximumof|hS i| is now increasedto 0.984, z interaction [23], we found that an applied magnetic field but that of |hS i| reduced to 0.100 as seen in Fig.5(a). x,y is able to induce or stabilize the in-plane vortical spin In addition, all these curves changes gradually, though structures, so that the chiral configuration can maintain notsmoothlyduetorelativelyweakDMinteraction,and 4 1.0 0.4 (b) 0.8 (a) 0.3 0.6 0.2 0.4 <S>z00..02 J = -1 K, D = 0.1 K <S>x,y 00..01 J = -1 K, D < =S x0>.1 K <Sy> -0.2 -0.1 -0.4 -0.2 -0.6 -0.3 -0.8 -1.0 -0.4 0.0 0.4 0.8 1.2 1.6 2.0 2.4 2.8 3.2 0.0 0.4 0.8 1.2 1.6 2.0 2.4 2.8 3.2 T(K) T(K) 0.8 1.0 0.25 K 1.5 K 0.7 (d) 0.8 (c) 0.6 J = -1 K, D = 0.1 K 0.25 K 1.5 K 0.5 2 K 2.5 K A 0z.6 2 K 2.5 K Axy 0.4 0.4 0.3 0.2 0.2 J = -1 K, D = 0.1 K 0.1 0.0 0.0 -0.1 -10 -8 -6 -4 -2 0 2 4 6 8 10 -10 -8 -6 -4 -2 0 2 4 6 8 10 Nx Nx Figure 2. Calculated spontaneous (a) hSzi, and (b) hSx,yi for themono-layer AFM nanodisk as functions of temperature; (c) Az, and (d) Axy as functions of the distances from thecenterof the nanodisk at four different temperatures. HereR = 10a, J = -1K, and D = 0.1 K, respectively. asinglemagneticvortexisfoundonthe nanodisk,which 0.3 K, but keeping other parameters unchanged. The prevails in the whole magnetic phase as depicted in Fig- calculatedhS i, hS i and hS i in the absence of external z x y ure 5(b). magnetic field are plotted in Figure 6. These magneti- zation curves are not smooth in the whole low tempera- ture range, reflecting the fierce competition between the D. Effect of DM Interaction Strength Heisenberg and DM interactions. The sudden changes appearingaroundT ≈1.25Kand0.7Kespeciallyinthe hS iandhS icurvesindicatethatphasetransitionshap- To describe the multi-domain structures, a new quan- x y pen nearby, leading to formations of different magnetic tity named DM length has been introduced and defined structures. According to the theory just described, now as ζ =J/D which is related to the size of self-organized ζ = J/D ≈ 3.333, and 2R > ζ, so it is expected more structures, where the distance between two unit grids is self-organized magnetic domains will appear in the low defined as the unity [26]. When the Monte carlomethod temperature region. Above1.4 K,a single magnetic vor- is employed, each grid contains n×n atomic sites. We tex, as shown in Figure 7(a), occupies the whole disk. adopt this theory by replacing the grid with a spin, and However, below T = 1.2 K, a few magnetic domains will see how the theory works. Thus, as the disk scale is appear. The spin configuration evolves with decreasing a few times lager than ζ in the unit of lattice parameter temperature until T = 0.6 K, where we observe a very a, more magnetic structures, such as strips and vortices, symmetricmagneticstructure: averticalstripappearing will be formed in the disk plane. This condition can re- exactlyinthe middle oftwoAFM vortices,andthis pat- alized by either increasing DM interaction or the lattice tern remains unchanged down to very low temperature, size. as displayed in Figure 7(b). The two vortex centers are To test the idea, we then carried out simulations for approximately 11a apart, three self-organized domains the nanodisk by increasing the DM interaction to D = 5 14 10 -24 (a) 0 12 (b) -25 J = -1 K, D = 0.1 K -5 J = -1 K, D = 0.1 K 8 F(J/MOL)---222876 F E ---211050 E(J/MOL) C(J/MOL K)M1068 CSMM 46 S(J/MOL K) M -29 4 -25 2 -30 2 -31 -30 0 0 -32 -35 0.0 0.4 0.8 1.2 1.6 2.0 2.4 2.8 3.2 0.0 0.4 0.8 1.2 1.6 2.0 2.4 2.8 3.2 T( K) T(K) Figure 3. Calculated (a) free energy and energy, (b) magnetic entropy and spefic heat per mole of thespins. Here R = 10a, J = -1 K,and D = 0.1 K,respectively. 12 (a) T = 0.25 K, B = 0.3 Tesla, J = -1 K, D = 0.1 K 12 (b) T = 0.25 K, B = 0.4 Tesla, J = -1 K, D = 0.1 K 8 8 4 4 Ny Ny 0 0 -4 -4 -8 -8 -12 -12 -12 -8 -4 0 4 8 12 -12 -8 -4 0 4 8 12 Nx Nx Figure 4. Calculated spin configurations projected onto thedisk plane at T = 0.25 K, when an external magnetic field (a) Bz = 0.3 Tesla, and (b) Bz = 0.4 Tesla, is applied normal to thedisk plane. HereJ = -1 K, D = 0.1 K and R=10a, respectively. are involved between, thus the averaged distance of two axialanisotropynormaltothediskplanewillrecoverthe neighboringstructuresisabout3.67a,slightlylargerthan single vortex structure. ζ due to the influence of the disk boundary. Therefore, our simulated results agree well with the adopted gird theory. E. Joint Effects of Uniaxial Anisotropy and Strong DM Interaction To test this idea, we carried out simulations by us- ing the parameters given in Figure 7, but increasing As described above, a strong DM interaction usually the anisotropy strength K from zero to 0.1 K. This A leads to a multi-domain structure on the disk plane. On anisotropic interaction effectively suppresses the strong the other hand, as described above, the formation of an DM interaction, consequently, the three components of in-plane AFM skyrmion requires the spins to order also the magnetization change smoothly and fade gradually antiferromagnetically in the normal direction, and the with increasing temperature below T as shown in Fig- N magnetic anisotropy perpendicular to the disk-plane has ure 8(a), foretelling the appearance of a single magnetic such an effect. Therefore, we expect that when a strong vortexonthediskplane. Thispredictionisconfirmedby DMinteractionispresentinthenanosystem,whichgives the spin structure that is stable in the whole magnetic rise to multi-domain configuration, introducing the uni- phase, as displayed in Figure 8(b). 6 1.2 0.15 (a) 12 (b) T < TM, J = -1 K, D = 0.1 K, KA = 0.1 K 0.8 0.10 8 0.4 J = -1 K, D = 0.1 K, KA = 0.1 K 0.05 <S>z0.0 <<SSxz>> <Sy> 0.00 <S> x,y Ny 04 -0.4 -0.05 -4 -0.8 -0.10 -8 -1.2 -0.15 -12 0.0 0.5 1.0 1.5 2.0 2.5 3.0 -10 -5 0 5 10 T(K ) Nx Figure 5. Calculated (a) spontaneous magnetization for themono-layer AFMnanodisk as the functions of temperature, and (b) spin configurations projected onto thexy-planein the temperatureregion belowTM. HereR=10a, J =-1K,D =0.1KandKA =0.1K,respectively. 0.8 0.6 (b) 0.6 (a) 0.4 0.4 0.2 0.2 J = -1 K, D = 0.3 K > J = -1 K, D = 0.3 K <S>z 0.0 <Sx,y0.0 <Sx> <Sy> -0.2 -0.2 -0.4 -0.4 -0.6 -0.8 -0.6 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 00..00 00..55 11..00 11..55 22..00 22..55 33..00 33..55 T(K) T(K) Figure 6. Calculated spontaneous (a) hSzi, and (b) hSx,yi for themono-layer antiferromagnetic nanoodisk asthefunctionsoftemperature. HereR=10a, J =-1K,andD =0.3 K,respectively. IV. CONCLUSIONS AND DISCUSSION evolveswithvaryingtemperature,butisalwayssymmet- ric abouta geometricaxisof the squareunit cell. In this case,amoderateuniaxialmagneticanisotropynormalto We have successfully carried out simulations for AFM the disk-plane is able to suppress the DM interaction, so skyrmions on manolayer nanodisks by means of a new thatthemulti-domainsmergestoasingleAFMskyrmion quantum computational approach. We find that if the that occupies the whole disk plane below the transition disk size is small and the DM interaction weak, single temperature. magnetic vortex, or a skyrmion is formed on the disk We have adopted a gird theory [26] to describe the plane. The uniaxial magnetic anisotropy normal to the multi-domain structures on the nanodisks. The sizes of diskplanedoesnotaffectthissinglemagnetictextureevi- the magnetic domains and the averagedistance between dently,itcanonlyenhancethemagneticmomentsinthat a pair of them agree approximately with this modified direction,butreducetheothertwoin-planecomponents. theory, as already achieved in our recent simulations for Aweakexternalmagneticfieldappliednormaltothedisk FM nanodisks [23]. planeproducessimilareffects;however,ifitissufficiently strong, it will completely destroy the magnetic vortex. We would like to stress finally that our simulation ap- By increasing the DM interaction strength so that the proachisbasedonquantumphysics–thespinsappearing disk diameter is a few times larger than the DM length, in the Hamiltonian aretreatedas quantum operatorsin- more self-organizeddomains,such asvorticesand strips, steadof classicalvectors,the thermalexpectation values can be formed on the disk plane. The spin configuration of all physical quantities are calculated with quantum 7 12 (a) T = 2.7 K, 1.8 K, 1.5 K, J = -1 K, D = 0.3 K 12 (b) T = 0.3 K, 0.6 K, J = -1 K, D =0.3 K 8 8 Title 4 4 Y Axis 0 Ny 0 -4 -4 -8 -8 -12 -12 -12 -8 -4 0 4 8 12 -12 -8 -4 0 4 8 12 Nx Nx Figure 7. Spin configurations projected onto thexy-planecalculated at (a) T = 2.7, 1.8, 1.5 K, and (b) T = 0.6, 0.3 K.Here R = 10a, J = -1 K, and D = 0.3 K, respectively. 1.0 (a) 0.3 (b) T < = 2.7 K, J = 1 K, D = 0.3 K, K =0.1 K 0.8 12 0.6 0.2 8 0.4 <S>z00..02 J = -1 K<,S Dx> = 0.3 K, K <AS =y> 0.1 K 00..01 <S>x,y Ny 4 0 -0.2 <Sz> -0.1 -0.4 -4 -0.6 -0.2 -8 -0.8 -0.3 -12 -1.0 -12 -8 -4 0 4 8 12 0.0 0.5 1.0 1.5 2.0 2.5 3.0 T(K) Nx Figure 8. Calculated (a) magnetization for themono-layer AFM nanodisk as thefunctions of temperature, (b) spin configurations projected onto the xy-planein thetemperature region below TM,in theabsence of externalmagnetic field. HereR = 10a, J = -1K,D = 0.3 Kand KA =0.1 K,respectively. formulas. 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