Strain interaction effects on the high-spin-low-spin transition of transition-metal compounds
Strain interaction effects on the high-spin-low-spin transition of transition-metal compounds
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DOI：
10.1088/0022-3719/14/1/007
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发表时间：
1981-01
期刊：
影响因子：
--
通讯作者：
S. Ohnishi;S. Sugano
中科院分区：
文献类型：
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作者：
S. Ohnishi;S. Sugano
考虑到LS（或HS）晶体中HS（或LS）团簇之间的弹性相互作用，半定量地研究了晶体（氧化物和硫化物）中3d 4 - 3d 7过渡金属离子的高自旋（HS）-低自旋（LS）相变.的临界温度，在不连续的相变发生的配位场强度δ的函数进行评估的自旋配对能量Pi的单位。它示出的“交叉范围”，这个临界温度存在的限制在一个有限的范围内的Delta / Pi的交叉点周围。对晶体MO、MS 2、M2 O3和LaMO 3（其中M表示过渡金属离子）评估交叉范围。计算了LS和HS晶体中HS和LS团簇的平衡浓度随温度的变化，并对钙钛矿型LaMO_3晶体中Delta / Pi的几个值进行了计算。指出在d 6和d 7系统中，随着温度的降低，可能会出现从HS到LS和从LS到HS的两个不连续转变。
The temperature-induced high-spin(HS)-low-spin(LS) transition of the 3d4-3d7 transition-metal ions in crystals (oxides and sulphides) are investigated on a semiquantitative basis by taking into account the elastic interaction between HS (or LS) clusters produced in a LS (or HS) crystal. The critical temperature at which the discontinuous phase transition takes place is evaluated as a function of the ligand-field strength Delta in units of spin-pairing energy Pi . It is shown that the 'crossover range' where this critical temperature exists is restricted to a finite range of Delta / Pi around the crossover point. The crossover ranges are evaluated for the crystals MO, MS2, M2O3, and LaMO3 where M represents transition-metal ions. The temperature variation of the equilibrium concentrations of HS and LS clusters in LS and HS crystals, respectively, is calculated for several values of Delta / Pi in perovskite LaMO3 crystals. It is pointed out that two discontinuous transitions from HS to LS and LS to HS with decreasing temperature may be expected in the d6 and the d7 systems.