Theory of MX Chain Compounds - Material Designs and New Physical Properties in MX-and MMX-Chain Compounds - page 140

1.0

0.8

l 2 - l 1

0.6

0.4

2w

0.2

0

0 10 20 30

lth Site (only odd-number sites)

Fig. 8.28 Staggered lattice configurations used in the calculation

a

1

N=36 & PBC

0.8

T riplet

0.6 Eab(MH)

Singlet

0.4

0.2 Singlet

MH Ins.

0

CDW

-0.1

0 10 20 30 40 50

b

1.4

N=36 & PBC

1.2

T riplet

1

0.8

Singlet

0.6

0.4

MH Ins.

Singlet

0.2

CDW

0

0 10 20 30 40 50

lo = Domain Size (Site)

Fig. 8.29 Adiabatic potential curves of photoconversion on (a) A and (b) C points in Fig. 8.27 .
Reprinted from Iwano [ 49 ]. Copyright (2004) by the American Physical Society

more important is the proximity of these curves. As is easily seen in the figure, the
two curves reside very close to each other and even a crossing occurs at one point.