generating skyrmions using vampire (application to customised … · 2020-02-27 · vampire...
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Generating skyrmions using Generating skyrmions using VAMPIREVAMPIRE
(application to customised .ucf)(application to customised .ucf)Mara Strungaru
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Magnetic Skyrmions
● Skyrmions -chiral nanoscale bubles; -high tolerance to material defects as they are topologically protected; -propagation under spin-polarized currents;
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Outline
● How to create your own unit cell file;● Exchange tensor and Dzyaloshinskii-Moryia
interaction (DMI);● Skyrmion generation;
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Dzyaloshinskii-Moryia interaction (DMI)
(1)
(3)(2)
(4)
(5)
(6)
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Simple cubic lattice
1-21-2D=(-1,0,0)
1-31-3D=(0,1,0)
1-51-5D=(0,-1,0)
1-41-4D=(1,0,0)
22
33
44
55 11x
y
DMI unit vector
Link
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Ground-state
Zero Field Cooling(stripe domains)
Field Cooling(4T-skyrmions)
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Steps to follow
Start from a unit cell of 1 atom.Replicate the system to create the super-cell for PBC.Calculate nearest neighbours.Write the code as generally as possible.
11
11
11
11 11x
y
11
1111
11
1) Create system
2) Calculate DMI vectors
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Unit cell file .ucfSimple cubic.ucf # Unit cell size:
3.54 3.54 3.54 # Unit cell vectors: 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 # Atoms num, id cx cy cz mat lc hc 10 0.5 0.5 0.5 0 0 0# Interactions n exctype, id i j dx dy dz Jij6 ….0 0 0 1 0 0 11.2e-211 0 0 -1 0 0 11.2e-212 0 0 0 1 0 11.2e-213 0 0 0 -1 0 11.2e-214 0 0 0 0 1 11.2e-215 0 0 0 0 -1 11.2e-21
i jii
Exchange type:
Exchange values (J/link)
Relative distance
IsotropicVectorialTensorial
11
11
11
11 11x
y
11
1111
11
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Parameters
Small Tc for faster simulations;Check the critical temperature before the addition of DMI;Add a DMI equal in strength with the exchange;
J =1.6e-22 J/linkThe interaction should look like:
0 0 0 1 0 0 1.6e-22 0 -1.60e-22 0 1.6e-22 0 1.60e-22 0 1.6e-22
-Dy-Dy DyDy
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Field-cooling simulation (input)
material:file=Co.matmaterial:unit-cell-file = "file.ucf"#------------------------------------------# Simulation attributes:#------------------------------------------sim:total-time-steps=3000000sim:equilibration-temperature=30sim:equilibration-time-steps = 10000sim:time-steps-increment = 1sim:time-step=1e-16
sim:minimum-temperature=0sim:maximum-temperature=30.0sim:applied-field-strength=0.0sim:cooling-time=100!pssim:cooling-function = gaussian !or linear
#------------------------------------------# Program and integrator details#------------------------------------------
sim:program=field-coolsim:integrator=llg-heun
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Field-cooling simulation (input)
material:file=Co.matmaterial:unit-cell-file = "file.ucf"#------------------------------------------# Simulation attributes:#------------------------------------------sim:total-time-steps=3000000sim:equilibration-temperature=30sim:equilibration-time-steps = 10000sim:time-steps-increment = 1sim:time-step=1e-16
sim:minimum-temperature=0sim:maximum-temperature=30.0sim:applied-field-strength=0.0sim:cooling-time=100!pssim:cooling-function = gaussian !or linear
#------------------------------------------# Program and integrator details#------------------------------------------
sim:program=field-coolsim:integrator=llg-heun
Set the xyz dimensions in order to have just 1 layer!Set the xyz dimensions in order to have just 1 layer!
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Output (input)
#------------------------------------------# data output#------------------------------------------output:output-rate = 10000output:real-timeoutput:temperatureoutput:mean-magnetisation-lengthoutput:magnetisation-lengthoutput:magnetisationoutput:mean-susceptibility
config:atomsconfig:atoms-output-rate=100000
300 points
30 data files with the spins configurations
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Co.mat
#===================================================# Sample vampire material file V3+#===================================================
#---------------------------------------------------# Number of Materials#---------------------------------------------------material:num-materials=1#---------------------------------------------------# Material 1 Cobalt Generic#---------------------------------------------------material[1]:material-name=Comaterial[1]:damping-constant=1.0material[1]:initial-spin-direction=randommaterial[1]:atomic-spin-moment=1.72 !muBmaterial[1]:uniaxial-anisotropy-constant=5e-23
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.ucf answer
#Unit cell size:2.715 2.715 2.715#Unit cell vectors:1 0 00 1 00 0 1# Atoms num_atoms, num_materials;id cx cy cz mat cat hcat:10 0 0 0 0 1 0# Interactions n exctype; IID i j dx dy dz Jxx Jxy Jxz Jyx Jyy Jyz Jzx Jzy Jzz:4 tensorial0 0 0 1 0 0 1.6e-22 0 -1.60e-22 0 1.6e-22 0 1.60e-22 0 1.6e-221 0 0 0 1 0 1.6e-22 0 0 0 1.6e-22 -1.60e-22 0 1.60e-22 1.6e-222 0 0 -1 0 0 1.6e-22 0 1.60e-220 1.6e-22 0 -1.60e-22 0 1.6e-223 0 0 0 -1 0 1.6e-22 0 0 0 1.6e-22 1.60e-22 0 -1.60e-22 1.6e-22
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Field-cooling simulation (input)
material:file=Co.matmaterial:unit-cell-file = "file.ucf"#------------------------------------------# Simulation attributes:#------------------------------------------sim:total-time-steps=3000000sim:equilibration-temperature=30sim:equilibration-time-steps = 10000sim:time-steps-increment = 1sim:time-step=1e-16
sim:minimum-temperature=0sim:maximum-temperature=30.0sim:applied-field-strength=0.0sim:cooling-time=100!pssim:cooling-function = gaussian
#------------------------------------------# Program and integrator details#------------------------------------------
sim:program=field-coolsim:integrator=llg-heun
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Plotting and animation
Set_Camera_Sky(<1,0,0>) in spins.povpovray spinsconvert -delay 10 -loop 0 *.png animation.gif
Gnuplot Gnuplot alternative
● paste atoms-coords.data spins-00000030.data >> atoms_30.dat
gnuplot> set view 0,0gnuplot> set palette defined (-1 "blue", 0 "white", 1 "red")gnuplot> set xlabel "x";set ylabel "y"; set zlabel "z"gnuplot> sp "atoms_30.dat" u 3:4:5:($6):($7):($8):8 w vectors palette lw 1.5 t ""gnuplot> sp "atoms_30.dat" u 3:4:5:8 w p palette pt 7
povray povray
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Try different values of:
Increase size of the system!
Cooling times; 100 ps; 500 ps etc.
Applied field;
Ratio between exchange and DMI;
Anisotropy constants;