Spin-pairing transitions energies

A simple VB approach was used in [75] to describe the five structures. Only the lowest energy spin-pairing structures I (B symmehy) of the type (12,34,5 were used (Fig. 21). We consider them as reactant-product pairs and note that the transformation of one structure (e.g., la) to another (e.g., Ib) is a thr ee-electron phase-inverting reaction, with a type-II transition state. As shown in Figure 22, a type-II structure is constructed by an out-of-phase combination of... 

Figure 1 Disorder-Llo-Ll2 phase diagram [9]. The broken line indicates the (100) Spin-odal ordering locus and dotted lines e metastable phase boundaries. The temperature axis is normalized with respect to the neaiest neighbor pair interaction energy. The ordering transition temperatures of L q and LI2 phases are 1.89 and 1.92, respectively.

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