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Calculation the Electrical Properties of Graphene-B/P Compound Sheets Using Density Functional Theory Calculations | ||
| Journal of Kufa - physics | ||
| Article 1, Volume 9, Issue 1, 2017, Pages 66-71 | ||
| Authors | ||
| Hawraa A. Abdulridha; Hamid I. Abbood; Sabah N. Mazhir | ||
| Abstract | ||
| Present study concerns on the effect of B/P compound on the electrical properties of the pure graphene sheet. The calculations are including the electrical conductivity, thermal conductivity, I-V characteristic and transmission coefficient. These calculations are carried out using GOLLUM program. We showed that good relax of the studied graphenesheets was obtained using LDA/SZ DFT at SIESTA - trunk - 462 of program. Electrical and thermal conductivities of the pure graphene sheet GR1 still the largest, and for the doped, they are of the order of GR6 ˃ GR5 ˃ GR4. The I-V characteristis were analyzed, and the transmission coefficient of the pure graphene sheet is higher than that of doped graphene sheets. | ||
| Keywords | ||
| Graphene sheet; Electrical conductivity; thermal conductivity; V characteristic; and Transmission coefficient | ||
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