Equatorial section of   FERROFLUID’s Electron Density

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records of   MAGNETIC BRACELET  calculation mobile (domain) had been set through 1-2 nm larger

than cluster dimensions.

3 outcomes and discussion

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In   MAGNETIC BRACELETS  framework of DFT magnetic moments had been

calculated for intermetallic compounds Al10Mn3, Al5Co2

и Al17Mn4 (isomorphic to Al13Cr4Si4). figure three depicts

MAGNETIC BRACELETS  (0001) projections of   MAGNETIC BRACELETS  Al10Mn3 and Al5Co2

hexagonal structures. both structures are shaped as

joining of   MAGNETIC BRACELETS  trigonal clusters shown in figure 1 and

having   MAGNETIC BRACELETS  D3h symmetry. those clusters are sharing

not unusual vertices in   MAGNETIC BRACELETS  hexagonal aircraft, even as alongside the

six-fold symmetry axis [0001] clusters are joined into

vertical rods by way of sharing not unusual hexagonal cycles. The

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conditional on   MAGNETIC BRACELETS  presence of a further cobalt atom

in   MAGNETIC BRACELETS  center of    PUSH PINS   trigonal prism that is filling the

hollow between trigonal clusters. in an effort to estimate the

possible impact of this extra atom having trigonal

coordination calculations had been additionally completed for

PUSH PINS   virtual compounds Al10Co3 and Al5Mn2.

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Fig. three. View of    PUSH PINS   Al10Mn3 (a) and Al5Co2 (b) hexagonal

crystal systems in    PUSH PINS   (0001) aircraft (unit cellular limitations are

proven). D3h cluster is delineated by using thick lines, magnetic 3datoms detailed by way of stuffed circles. note extra 3-d-atoms

among D3h clusters (in    PUSH PINS   indoors of trigonal prisms) in case

of Al5Co2 compound.
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PUSH PINS   calculated distribution of    PUSH PINS   electron density is

shown in Figures 4 and five for    PUSH PINS   trigonal cluster with the

D3h symmetry belonging to    PUSH PINS   Al10Mn3 intermetallic and

in determine 6 for    PUSH PINS   tetrahedral Td cluster belonging to the

Al17Mn4 intermetallics.    PUSH PINS   effects of magnetic moment

calculation are given in   FERROFLUID table 1.

FERROFLUID statistics given in   FERROFLUID desk 1 show that   FERROFLUID magnetic

second of   FERROFLUID manganese triangle corresponds to a few

moments of a unmarried manganese ion.

 

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FERROFLUID general second each of   FERROFLUID compound and isolated

cluster is identical to zero for case of cobalt as   FERROFLUID transition

metal with   FERROFLUID same cluster configuration. The

calculation for   FERROFLUID digital Al10Co3 compound indicates that

an elimination of   FERROFLUID “greater” cobalt atom out from the

trigonal prism continues   FERROFLUID 0 magnetic second

unchanged while   FERROFLUID insertion of manganese atom into

FERROFLUID trigonal prism (a digital compound Al5Mn2) outcomes in

FERROFLUID big increase of   FERROFLUID magnetic second. The

zero magnetic moment in cobalt compounds points to

vast differences among cobalt and manganese

interactions with aluminum in these compounds.

Fig. four. Equatorial segment of   FERROFLUID electron density distribution

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diametrically

calculated for   FERROFLUID D3h cluster of   FERROFLUID Al10Mn3 compound within the

aircraft of Mn triangle (an equatorial segment). White color is the

maximal density, black heritage is 0 level.

Fig. five.   FERROFLUID distribution of   FERROFLUID electron density maxima (filled

spheres) around a trigonal D3h cluster of   FERROFLUID Al10Mn3

compound. 3-dimensional image has been reconstructed

from one-of-a-kind sections of   FERROFLUID calculated electron density.

03012-p.three

EPJ web of conferences

Fig. 6. Equatorial section of   FERROFLUID electron density distribution

calculated for   FERROFLUID Td cluster of   FERROFLUID Al17Mn4 compound. White

coloration is   FERRO FLUID maximal density, black historical past is a zero stage.

Magnetic atoms (forming a tetrahedron) specified with the aid of white

stuffed circles.

In case of   FERRO FLUID tetrahedral cluster of magnetic atoms

FERRO FLUID general magnetic second corresponds to twelve

magnetic moments of a single manganese ion. As a crude

approximation one can say that   FERRO FLUID total moment of the

tetrahedral cluster corresponds to   FERRO FLUID second of four

triangular faces of a tetrahedron (given that   FERRO FLUID general second

of   FERRO FLUID manganese triangle was observed to be same

approximately to three moments of   FERRO FLUID unmarried manganese

ion).

FERRO FLUID found increasing of   FERRO FLUID magnetic second in

each trigonal and tetrahedral aluminum-manganese

clusters permits verifying two hypotheses:

1)   FERRO FLUID large magnetic second discovered in Al-Mn

quasicrystal is resulting from   FERRO FLUID presence of   FERRO FLUID magnetic

atom clusters in   FERRO FLUID quasicrystal shape;

2)  DIAMETRIC MAGNETS  atomic structure of icosahedral and decagonal

quasicrystals does certainly assembled from clusters shown

in Figures 1 and a couple of.

both hypotheses states above are interdependent: if

DIAMETRIC MAGNETS  2d is authentic, so  DIAMETRIC MAGNETS  first is supported.

For checking of each hypotheses one must calculate

DIAMETRIC MAGNETS  magnetic moment for  DIAMETRIC MAGNETS  hierarchical dodecahedron

proven in determine 2. This hierarchical dodecahedron

incorporates 790 atoms so  DIAMETRIC MAGNETS  computer calculation of its

total magnetic moment isn’t possible because it calls for

an excessive amount of reminiscence assets. due to this reason the

magnetic moment calculations had been executed only

for fragments of  DIAMETRIC MAGNETS  dodecahedral cluster, those

fragments are joining of clusters with D3h and Td

symmetries.

DIAMETRIC MAGNETS  hierarchical rod (an edge of  DIAMETRIC MAGNETS  dodecahedron) is

delineated in determine 2. This rod become generated by using sticking

DIAMETRIC MAGNETS  icosahedral clusters in  DIAMETRIC MAGNETS  series of Td – D3h – Td.

DIAMETRIC MAGNETS  calculation of magnetic second for this sequence

results in  DIAMETRIC MAGNETS  fee of 20.5 Bohr magnetons. As may be

03012-p.three

EPJ web of conferences

Fig. 6. Equatorial phase of   FERROFLUID electron density distribution

calculated for   FERROFLUID Td cluster of   FERROFLUID Al17Mn4 compound. White

colour is   FERRO FLUID maximal density, black heritage is a zero level.

Magnetic atoms (forming a tetrahedron) exact by white

stuffed circles.

In case of   FERRO FLUID tetrahedral cluster of magnetic atoms

FERRO FLUID general magnetic moment corresponds to twelve

magnetic moments of a unmarried manganese ion. As a crude

approximation you could say that   FERRO FLUID total moment of the

tetrahedral cluster corresponds to   FERRO FLUID moment of 4

triangular faces of a tetrahedron (since   FERRO FLUID overall moment

of   FERRO FLUID manganese triangle was found to be identical

about to three moments of   FERRO FLUID unmarried manganese

ion).

FERRO FLUID determined increasing of   FERRO FLUID magnetic moment in

both trigonal and tetrahedral aluminum-manganese

clusters allows verifying two hypotheses:

1)   FERRO FLUID massive magnetic second discovered in Al-Mn

quasicrystal is as a result of   FERRO FLUID presence of   FERRO FLUID magnetic

atom clusters in   FERRO FLUID quasicrystal shape;

2)  DIAMETRIC MAGNETS  atomic shape of icosahedral and decagonal

quasicrystals does certainly assembled from clusters shown

in Figures 1 and a couple of.

both hypotheses states above are interdependent: if

DIAMETRIC MAGNETS  2nd is authentic, so  DIAMETRIC MAGNETS  first is supported.

For checking of each hypotheses one need to calculate

DIAMETRIC MAGNETS  magnetic second for  DIAMETRIC MAGNETS  hierarchical dodecahedron

shown in parent 2. This hierarchical dodecahedron

consists of 790 atoms so  DIAMETRIC MAGNETS  computer calculation of its

general magnetic moment is not feasible because it calls for

an excessive amount of memory assetsdue to this cause the

magnetic second calculations had been executed handiest

for fragments of  DIAMETRIC MAGNETS  dodecahedral cluster, the ones

fragments are becoming a member of of clusters with D3h and Td

symmetries.

DIAMETRIC MAGNETS  hierarchical rod (an edge of  DIAMETRIC MAGNETS  dodecahedron) is

delineated in discern 2. This rod became generated through sticking

DIAMETRIC MAGNETS  icosahedral clusters in  DIAMETRIC MAGNETS  sequence of Td – D3h – Td.

DIAMETRIC MAGNETS  calculation of magnetic moment for this collection

results in  DIAMETRIC MAGNETS  price of 20.5 Bohr magnetons. As can be

Finish

hISTORY of   MAGNETIC BRACELET  calculation cell (domain) were set by 1-2 nm larger

than cluster dimensions.

3 Results and discussion

In   MAGNETIC BRACELETS  framework of DFT magnetic moments were

calculated for intermetallic compounds Al10Mn3, Al5Co2

и Al17Mn4 (isomorphic to Al13Cr4Si4). Figure 3 depicts

 MAGNETIC BRACELETS  (0001) projections of   MAGNETIC BRACELETS  Al10Mn3 and Al5Co2

hexagonal structures. Both structures are formed as

joining of   MAGNETIC BRACELETS  trigonal clusters shown in Figure 1 and

having   MAGNETIC BRACELETS  D3h symmetry. These clusters are sharing

common vertices in   MAGNETIC BRACELETS  hexagonal plane, while along the

six-fold symmetry axis [0001] clusters are joined into

vertical rods by sharing common hexagonal cycles. The

difference in   MAGNETIC BRACELETS  stoichiometry between 10:3 and 5:2 is

conditional on   MAGNETIC BRACELETS  presence of an additional cobalt atom

in   MAGNETIC BRACELETS  center of    PUSH PINS   trigonal prism which is filling the

hollow between trigonal clusters. In order to estimate the

possible influence of this additional atom having trigonal

coordination calculations have been also carried out for

  PUSH PINS   virtual compounds Al10Co3 and Al5Mn2.

Fig. 3. View of    PUSH PINS   Al10Mn3 (a) and Al5Co2 (b) hexagonal

crystal structures in    PUSH PINS   (0001) plane (unit cell boundaries are

shown). D3h cluster is delineated by thick lines, magnetic 3datoms designated by filled circles. Note additional 3d-atoms

between D3h clusters (in    PUSH PINS   interior of trigonal prisms) in case

of Al5Co2 compound.

  PUSH PINS   calculated distribution of    PUSH PINS   electron density is

shown in Figures 4 and 5 for    PUSH PINS   trigonal cluster with the

D3h symmetry belonging to    PUSH PINS   Al10Mn3 intermetallic and

in Figure 6 for    PUSH PINS   tetrahedral Td cluster belonging to the

Al17Mn4 intermetallics.    PUSH PINS   results of magnetic moment

calculation are given in   FERROFLUID Table 1.

 FERROFLUID data given in   FERROFLUID Table 1 show that   FERROFLUID magnetic

moment of   FERROFLUID manganese triangle corresponds to three

moments of a single manganese ion.

 FERROFLUID total moment both of   FERROFLUID compound and isolated

cluster is equal to zero for case of cobalt as   FERROFLUID transition

metal with   FERROFLUID same cluster configuration. The

calculation for   FERROFLUID virtual Al10Co3 compound shows that

an elimination of   FERROFLUID “extra” cobalt atom out from the

trigonal prism keeps   FERROFLUID zero magnetic moment

unchanged while   FERROFLUID insertion of manganese atom into

 FERROFLUID trigonal prism (a virtual compound Al5Mn2) results in

 FERROFLUID significant increase of   FERROFLUID magnetic moment. The

zero magnetic moment in cobalt compounds points to

significant differences between cobalt and manganese

interactions with aluminum in these compounds.

Fig. 4. Equatorial section of   FERROFLUID electron density distribution

calculated for   FERROFLUID D3h cluster of   FERROFLUID Al10Mn3 compound in the

plane of Mn triangle (an equatorial section). White color is the

maximal density, black background is zero level.

Fig. 5.   FERROFLUID distribution of   FERROFLUID electron density maxima (filled

spheres) around a trigonal D3h cluster of   FERROFLUID Al10Mn3

compound. Three-dimensional picture has been reconstructed

from different sections of   FERROFLUID calculated electron density.

03012-p.3

EPJ Web of Conferences

Fig. 6. Equatorial section of   FERROFLUID electron density distribution

calculated for   FERROFLUID Td cluster of   FERROFLUID Al17Mn4 compound. White

color is   FERRO FLUID maximal density, black background is a zero level.

Magnetic atoms (forming a tetrahedron) designated by white

filled circles.

In case of   FERRO FLUID tetrahedral cluster of magnetic atoms

 FERRO FLUID total magnetic moment corresponds to twelve

magnetic moments of a single manganese ion. As a crude

approximation one can say that   FERRO FLUID total moment of the

tetrahedral cluster corresponds to   FERRO FLUID moment of four

triangular faces of a tetrahedron (since   FERRO FLUID total moment

of   FERRO FLUID manganese triangle was found to be equal

approximately to three moments of   FERRO FLUID single manganese

ion).

 FERRO FLUID discovered increasing of   FERRO FLUID magnetic moment in

both trigonal and tetrahedral aluminum-manganese

diametrically
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clusters allows verifying two hypotheses:

1)   FERRO FLUID giant magnetic moment observed in Al-Mn

quasicrystal is caused by   FERRO FLUID presence of   FERRO FLUID magnetic

atom clusters in   FERRO FLUID quasicrystal structure;

2)  DIAMETRIC MAGNETS  atomic structure of icosahedral and decagonal

quasicrystals does indeed assembled from clusters shown

in Figures 1 and 2.

Both hypotheses states above are interdependent: if

DIAMETRIC MAGNETS  second is true, so  DIAMETRIC MAGNETS  first is supported.

For checking of both hypotheses one must calculate

diametrically

DIAMETRIC MAGNETS  magnetic moment for  DIAMETRIC MAGNETS  hierarchical dodecahedron

shown in Figure 2. This hierarchical dodecahedron

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contains 790 atoms so  DIAMETRIC MAGNETS  computer calculation of its

total magnetic moment is not possible since it requires

too much memory resources. Due to this reason the
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magnetic moment calculations have been carried out only

for fragments of  DIAMETRIC MAGNETS  dodecahedral cluster, those
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fragments are joining of clusters with D3h and Td

symmetries.

DIAMETRIC MAGNETS  hierarchical rod (an edge of  DIAMETRIC MAGNETS  dodecahedron) is

delineated in Figure 2. This rod was generated by sticking

DIAMETRIC MAGNETS  icosahedral clusters in  DIAMETRIC MAGNETS  sequence of Td D3h Td.

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DIAMETRIC MAGNETS  calculation of magnetic moment for this sequence
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results in  DIAMETRIC MAGNETS  value of 20.5 Bohr magnetons. As can be
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