Silicate glasses electronic states

Application of the Embedded Cluster Method to the Electronic State of Silicate Glasses... 

Sic-Oi bonding, however, has almost the same bond order as that in cluster (c), suggesting that the central region Sic-Oi bonding has less influence from embedding than the peripheral structure. This means that electronic states near the cluster center are little affected by both the cluster size and the embedding units. In other words, electronic states localized near the center are stable in silicate clusters, and thus suitable for e raction of glass properties. 

The discrete variational (DV) Xa method is applied to the study of the electronic structure of silicate glasses in embedded model clusters. The effects of the cluster size, the size of embedded imits, and the Si-0-Si bond angles on the electronic states are discussed. Embeddii units drastically improve the description of the electronic state, when compared to the isolated Si044- cluster, which is the structural unit of silicate glasses e.g., the Fermi energy for the embedded cluster becomes smaller when compared to that of the... 

In this work we used several related clusters with different sizes and also studied clusters with modified Si-O-Si bond angles. We will discuss the effects of the embedding, the cluster size and Si-O-Si bond angle on the electronic states of silicate glasses. 

Silicon shows a rich variety of chemical properties and it lies at the heart of much modern technology/ Indeed, it ranges from such bulk commodities as concrete, clays and ceramics, through more chemically modified systems such as soluble silicates, glasses and glazes to the recent industries based on silicone polymers and solid-state electronics devices. The refined technology of ultrapure silicon itself is perhaps the most elegant example of the close relation between chemistry and solid-state physics and has led to numerous developments such as the transistor, printed circuits and microelectronics (p. 332). 

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