Supplementary notes for “ Electric displacement as the fundamental variable in electronic - structure calculations ”
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First-principles study on the electronic structure of Thiophenbithiol (TBT) on Au(100) surface
First principle calculations were performed using Density functional theory within the local spin density approximation (LSDA) to understand the electronic properties of Au(100)+TBT system and compare the results with Au(100) and bulk Au properties. Band structure, the total DOS and charge density for these materials are calculated. We found that the HOMO for Au(100)+TBT becomes broader than Au...
متن کاملFirst-principles study on the electronic structure of Thiophenbithiol (TBT) on Au(100) surface
First principle calculations were performed using Density functional theory within the local spin density approximation (LSDA) to understand the electronic properties of Au(100)+TBT system and compare the results with Au(100) and bulk Au properties. Band structure, the total DOS and charge density for these materials are calculated. We found that the HOMO for Au(100)+TBT becomes broader than Au...
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Abstract: The application of electric field theory to widely different aspects of electrical insulation has led to more understanding the phenomena. Electric fields may be considered as the main reason for insulation failure. The purpose of this paper is to modify importance of analyzing electric field in insulation design. The SF6 circuit breaker is chosen as case study that encounters cri...
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تاریخ انتشار 2008