DIELECTRIC THEORY OF COHESIVE ENERGIES OF TETRAHEDRALLY COORDINATED CRYSTALS

被引:46
作者
PHILLIPS, JC
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D O I
10.1103/PhysRevLett.22.645
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Pauling's resonating-bond theory is reformulated in terms of an itinerant dielectric model. In extreme cases discrepancies of more than 200 kcal/mole between the observed cohesive energy and Pauling's value are reduced to 1 kcal/mole. The results completely justify the concept of resonating covalent and ionic contributions to cohesive energies of tetrahedrally coordinated crystals. © 1969 The American Physical Society.
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页码:645 / &
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