Please, cite original work as: B.M. Tanygin, O.V.

Tychko, Optimization of the numerical simulation of the domain walls structure in magnetically
ordered media, Abstracts of International Conference "Functional Materials" ICFM'2007, Ukraine, Crimea, Partenit (2007) 97.

OPTIMIZATION OF THE NUMERICAL SIMULATION OF THE DOMAIN WALLS STRUCTURE IN MAGNETICALLY ORDERED MEDIA

Tanygin B.M., Tychko O.V.

Taras Shevchenko Kiev National University, Radiophysics Faculty, Glushkova 2, Kyiv, Ukraine, 03022. E-mail: RPDparadoxL@gmail.com
Introduction
An information about magnetization vector M spatial distribution (MD) in a
(
Let function б x < ∆, z ≤ h f / 2 ) specifies MD in isolated DW volume in αx,αz 1.0
αx,αz

1.0 0.8 αx
medium volume is basic at a theoretical investigation of magnetic states and film with thickness h f , where ∆ → ∞ and Ox-axis is parallel to film surface. Than 0.8 αx 0.6
processes in a magnetically ordered media. One can obtain detailed information
about domain wall (DW) structure using numerical methods. Some of them [1,2] the DW boundary conditions at infinity are ( )
б x > ∆, z ≤ h f / 2 = m1 and
0.6
0.4
0.4

( )
0.2
have a high accuracy but are not always stable. Others [3] provide higher stability, αz
but they demand the considerable time of calculation. Therefore there is a necessity б x < −∆, z ≤ h f / 2 = m 2 , where m1 and m2 are the unit vectors along 0.2
αz 0.0
0.0
of their optimization and construction of common approaches to use. -0.2
-37.50 -18.75 0.00 18.75 37.50
Method optimization for numerical simulation of an equilibrium MD in DW magnetization vector M1 and M2 in neighboring domains volumes. If external field is -12.50 -6.25 0.00 6.25 12.50
absent then ever isolated DW MD symmetry correspond to boundary condition x/δ0, arb.units x/δ0, arb.units
volume for a wide range of a thickness of a magnetically ordered sample is the aim
of this report. The results of the method optimization are shown by the example of symmetry. The first reason of MD symmetry is a parallel orientation of film surface a)
2D numerical MD simulation in DW volume in a thin (001)-film with a negative first planes (symmetry transformation group S SF ). The second reason is a mutual b)
αx,αz αx,αz
constant K1 of a magnetocrystalline cubic anisotropy (MCA) for various sample orientation of m1 , m2 and direction Oy along which б is a constant vector 1.0
0.8 αx
0.8 αx
thickness. 0.6
1. Variation problem  χ€  0.6
(group S D ). For describing groups S SF , S D let’s define a ч =  R  such as the 0.4
Let's consider 2D-problem MD numerical simulation in cross-section of a thin  χ€  0.4
0.2
 M 0.2 αz
(100)-film. Let Oz- and Ox-axis is directed along film normal and crystallographic αz 0.0
[100] -direction. A free energy functional counting upon a unity of length along Oy - transformation transferring б vector from point r to other position and changing 0.0
-0.2

[
axis look like: G = ∫∫ g +ν r (б б ) d 2 r , where ν r] ( )
is the Lagrange multiplier, its direction: б χ€R r = χ€M б (r ) . The group S SF consist of one transformation that
-0.2
-62.50 -31.25 0.00 31.25 62.50
-0.4
-75.0 -37.5 0.0 37.5 75.0

( )
x/δ0, arb.units x/δ0, arb.units
g = g A + g m + g K is a volume energy density, g A = A (∂б / ∂x ) + (∂б / ∂z ) is a an  
2 2
 2  c)
moving magnetization from one to other surface plane: S SF =  z  , where 2z is
is an exchange constant, б = M / M , M 1  d)
exchange energy density, A is a 
   αx,αz αy,αz
saturation magnetization; g m = −(M ⋅ H m ) / 2
0.9
is a demagnetization field energy a reflection in plane perpendicular e and 1 is a turn around the rotary onefold axis. αx 0,8 αy
z

( )
0.6
0,4
g K = K1α p α q 1 − δ pq / 2 is a MCA The group S D consist of transformation that relate among themselves m1 and/or
2 2
density, H m is a demagnetization field, 0.3 αz
0,0
energy density, δ pq is the Kronecker symbol, p, q = x, y , z. . 
0.0
    
1 1   2 x  1  2 x  -0,4 αz
m2 vectors: S D =  ,  ,   or S D =  ,   for 180°-DW or non-
-0.3
Requirement of an equilibrium MD is δG = 0 or an absence of a magnetic  
1  2 x   2 y  1  2 y 
[M × H ] = 0 , where
-0.6 -0,8
moment due to rotation H eff = −δg / δM is an effective       -112.4 -56.2 0.0 56.2 112.4 30 60 90 120 150
eff

( )
field: H eff = 2A ∂ 2б / ∂x 2 + ∂ 2б / ∂z 2 /M + H m − 2 K1 α p 3e p / M + β M , where β is an 180°-DW respectively, where
e)
2 x and 2 y are reflections in planes those are
f)
x/δ0, arb.units x/δ0, arb.units

arbitrary real magnitude. The M relaxation to an equilibrium state is yielded by perpendicular accordingly to e x and e y . In general case some other Fig. 1. Equilibrium M distribution in a volume of (001)-film of magnetically ordered
means of its reorientation to an effective field direction [1-3] (M establishment). medium with 2πM
2
/ K = −4 . 62 at sample thickness h f : 2.46δ 0 (a);
An order of an establishment of M orientation in finite elements (FE) can break transformations ч connect ever two magnetizations in DW volume, but the s 1

a problem symmetry. It is assumed to use the random numbers generator for finding examined ч groups describes MD symmetry agreed upon only boundary condition 7.38δ 0 (b); 12.30δ 0 (c); 14.76δ 0 (d); 22.14δ 0 (e); 73.78δ 0 (f) where

( ) ( )
of FE counters i and j for which the establishment is yielded in the given step of 1/ 2
symmetry. At the last case all reflection planes compared with χ€M include a begin of δ 0 = A / K1 . Solid and dash lines correspond M x, z = h f / 4 and
calculus.
2. Optimization of the demagnetization field calculation
Let’s consider modeling of the demagnetization field of continuous totality of
vector б , reflection plane compared with χ R equals 2z or 2 x transformation
€ M x, z = −h f / 4 respectively. ( )
I×J uniformly magnetized 2D-FE [2,3]. The demagnetization field H ijm is coincides with Oxy plane or Oyz ( x = 0 is a central point: (б m 1 ) = (б m 2 ) ) With film thickness h f growth e in a range δ 0 ≤ h f ≤50 δ 0 a transition from
Neel DW to Bloch DW takes place. It is accompanied by formation of domain
defined exactly or approximately with use of the operator € : respectively.
N
All possible combinations of the ч transformations of a group S SF ∪ S D form structure with 71°-DW (with the ∆m = m 2 − m1 vector perpendicular to a surface
i + ∆i j + ∆j
€ (k − i , l − j , i , j , g )б ≈
∑ N€ (k − i, l − j, i, j, g )б
I J
h ijm =∑∑ N kl ∑ kl ,where a group S′′ of MD symmetry transformation in ever DW volume. At (001)-films) in volume initial (at h f = δ 0 ) 90°-DW (with ∆m vector parallel a
(m + m 1 ) = 0 (i.e. at 180°-DW) the group S′′ looks like:
k =1 l =1 k =i − ∆i l = j − ∆j
surface (001)-films). If MD has an oscillating nature DW width [5, 6] became large
2
h ijm = H ijm / M , g is a ratio of the FE geometry. The indexes denote FE numbers. or limitless in extreme case. We propose use a tangent to envelope of
1 1  1   1  2  dependences α x , y , z (x ) for determining the three width definitions δ x , y , z .
€ =  N xx
€ (n, m, i, j , g ) operator look like: N N xz     2    x 
€=N
Components of the N  . They S1′′ =  ,   ⊗  ,  z  ⊗  ,   ,
N N zz   1 2  1 1  1  2 y 
  
 zx    x           1  1 
MD symmetry of this DW is S DW =  ,   . The equilibrium charge
are determined by N xx = K xR C1 + K xL C 2 ; N zx = K zR C1 + K zL C 2 ; N xz = 1  2 y 
where “ ⊗ ” means an alternate fulfilment of symmetry operations:  
= K Ux C3 + K xD C 4 ; N zz = K Uz C3 + K zD C 4 , where C1 = (1 − δ n∆i ) 1 − δ n[I − i ] , ( )  χ€R   χ€R   χ€R ⋅ χ€R 
 1 ⊗ 2 = 1 2 
distribution demonstrates this symmetry (Fig.2).

( )( ) ( )( ) ( )( )
. After simplification it is obtained a multitude:
 χ€   χ€   χ€ ⋅ χ€  z
C2 = 1 − δ n [−∆i ] 1 − δ n [1−i ] , C3 = 1 − δ m∆j 1 − δ m[J − j ] , C4 = 1 − δ m[− ∆j ] 1 − δ m[1− j ] .  M1  M 2   M1 M 2 
The K values with subscript (x and z) and superscript (R, L, U and D) is equal  
   
1  2  1   2 z   2x   1   2   1 
to x- and z – components of a field created by the poles that are located on right, S′1′ =  ,  z ,  ,  ,  ,  ,  x ,   , where 1 = 2x ⋅ 2z and
 
left, upper and under FE sides (here increase i and j counters defined as right ant up 1 1   2 x   2 x   2 y   2 y   2 z   2 z 
   
direction) accordingly at unit б kl projection on these sides. Quantity ∆i∆j should
be incremented until the modeling result will not cease to depend on its value. 2 z = 2 x ⋅ 2 y . By means of symmetry reduction it is possible to write group for non-
In contrast to classical quadratic dependence [1,2] such algorithm allows to
make a modeling time of a linear function of a sample geometry.     
1  2   2 x   1 
€ operator has point and translation symmetry of FE lattice of partitions: 180°-DW): S ′2′ =  ,  z ,  ,   . Subgroups S DW of groups S1′′ or S′2′
The N   
1 1   2 y   2 y  x
   
K Ux (n, m, g ) = K zR (m, n,1 / g ) , K Uz (n, m, g ) = K xR (m, n,1 / g ) , K xD (n, m, g ) =

Fig 2. Equilibrium charge distribution in a volume of (001)-film of magnetically
describe MD symmetry of all isolated DW with 2α =180° or 2α ≠180° respectively
= K zL (m, n,1 / g ) , K zD (n, m, g ) = K xL (m, n, 1 / g ) , 2πM s / K 1 = −4.62
2
(tabl.1). ordered medium with at sample thickness
Table 1.
K cR (−n, m, g )(δ cx − δ cz ) h f = 14.76δ 0 in shades of gray. Maximal charge density −δ 0 ∇б = 0.072897 .
2
K cL (−n, m, g )(δ cx − δ cz ) S DW DW
 
K cR (n, m, g ) =  K cR (n,−m, g )(δ cx − δ cz ) , K cL (n, m, g ) = K cL (n,−m, g )(δ cx − δ cz ) ,
  The area dimensions along Ox and Oz axes are accordingly 30δ 0 × 14.8δ 0 .
Classical
 − K L (n − 1, m, g )  
− K c (n + 1, m, g )
    


R
1  2 z  1   2 z   2 x   1   2 x   1  1D
c
  ,  ,  ,  ,  ,  ,  ,   G,GA,Gm,GK arb.units σA,σm,σK, arb.units
1 1   2 x   2 x   2 y   2 y   2 z   2 z  Bloch
where δ xx = δ zz = 1 , δ xz = δ zx = 0 and c denotes x or z . At that [1]:   180°-DW [5] 20 G σA
N xx (n, m, g ) = − N zz (n, m, g ) at | n | + | m |≠ 0 . The last is agreed with similar
16 0.9
GA
    
1  2 z   2 x   1 
12 0.6
property of a dipoles static field in 2D space. 1D-Brown and LaBonte
Taking into account of symmetry of the demagnetization field operator allows to  ,  ,  ,   DW [1] 8 σm
1 1   2 y   2 y  Gm 0.3
speed up a numerical simulation of its components in some times.      4
At a great distance FE creates a dipole field irrespective of its shape. Therefore
GK 0.0 σk
at a choice of FE shape it is necessary to proceed from comparison of a        0
demagnetization field at short distance (~ FE geometry) with a field of continued 1  2 z   2 x   1  Symmetrical LaBonte DW
 ,  ,  ,   [5]
3 6 9 12 15 3 6 9 12 15
MD. The measure of such comparison is the Lorentz local field. In 2D space it is 1  2 x   2 y   2 y  hf /δ0, arb.units hf /δ0, arb.units
   
defined by a form-factor 2π : (B m )L = −2πM . An analog of the Lorentz local field

a) b)
 σ, arb.units Gm/GA, arb.units
 
€ operator has a
is a demagnetization field of a solitary FE. For concerned FE the N 1  2 z  Asymmetrical LaBonte 1.0
 ,   DW [2]
property [1]: N xx (0,0, g ) + N zz (0,0, g ) = −4π . For square FE ( g = 1 ) it would look
2.1
1  2 x 
  0.8
like N xx (0,0,1) = N zz (0,0,1) = −2π i.e. register of form-factors of the continuous
1.8
   0.6
totality of dipoles and square FE takes place. In 2D space the such regularity is
Asymmetrical Néel DW at 1  1  1.5
Hubert model [5]  ,  
carried out for any shape FE (for example at FE totality of hexagonal shape). 1  2 y 
1.2 0.4
  
However for square FE the effective field is formulated the most simple analytic
form. 0.9 0.2
     3 6 9 12 15 3 6 9 12 15
The choice of the square shape of 2D finite elements is sufficient for exact 1  2   2 x   1  hf /δ0, arb.units
calculation of a local part of an energy of dipole - dipole interaction. An availability of all elements  ,  z ,  ,   in groups S1′′ and S′2′ hf /δ0, arb.units
1 1     
3. Necessary conditions       y y
2 2  c) d)
 
Independence of the simulated equilibrium MD from the FE shape and their Fig 3. Domain wall (90°-DW) energy (a), energy density (b,c) and relation Gm / GA
orientations is the important problem. Aharoni [4] first propose some necessary is a necessary condition of plane DW. An absence of all elements
(d) depend on (001)-film width at material parameters 2πM s / K 1 = −4.62 .
2
conditions to prove conformity between the method discrete model and       
micromagnetic approach. In describable case that conditions is given by: 1,  2 x ,  1 ,  2 x ,  1  is sufficient condition of asymmetric [2] DW.
          Here energy and energy density are measured in M δ 0 and M 2δ 0 units.
2 2

G1 = G2 = G3 = G − ∫∫ν r (бб )d 2 r , where 1  2 y   2 y   2 z   2 z 

     Subscripts “A”, ”m” and “K” mark exhange, demagnetization and anisotropy
[ (
G1 = −∫∫ K1 α y4 + α z4 + α y2α z2 + A ∇ 2α x / α x d 2r , ) ( ) ]
For more exact and fast modelling an initial MD should have symmetry
identical required.
energy components.
Reference

[ ( ) ( ) ]
5. Application [1]. W. F. Brown, A.E. LaBonte, J. Appl. Phys. 36, 1383, (1965).
G2 = −∫∫ K 1 α x4 + α z4 + α x2α z2 + A ∇ 2α y / α y d 2 r , Described optimized method was used for modelling of equilibrium M
distribution in a volume of (001)-film of magnetically ordered medium with [2]. A.E. LaBonte, J,Appl. Phys., 40, 2450 (1969).
4
[ (
G3 = −∫∫ K1 α x + α y + α x α y + A ∇ α z / α z d r .
4 2 2 2 2
) ( ) ]
2πM s / K 1 = −4.62
2
at sample thickness 2.46δ 0 ≤ h f ≤ 73.78δ 0 , where [3]. L.I. Antonov, S.G. Osipov, M.M. Hapaev, PhMM, 55, 917 (1983).
[4]. A.Aharoni, J.Appl. Phys. 39, 861 (1968)
4. Magnetization distribution symmetry
A symmetry of initial MD determines a final simulated MD [2]. The last can be δ 0 = A / K1
1/ 2
( )
. Different random initial MD has an influence on time calculation
[5]. Hubert A., Shafer R. Magnetic domains. The analysis of magnetic
microstructures. – Berlin, Springer-Verlag, 1998.
equilibrium or metastable. Therefore problem of MD symmetry is important [2]. but not change final distribution. [6]. B.A. Lilley. Phil.Mag., 41 (1950), 792.