Available online at www.sciencedirect.com ScienceDirect Materials Today: Proceedings 5 (2018) 11004–11010 www.materialstoday.com/proceedings 2214-7853 © 2017 Elsevier Ltd. All rights reserved. Selection and/or Peer-review under responsibility of The 5th Thailand International Nanotechnology Conference (NanoThailand2016). NanoThailand2016 Atomic structures of graphene-like nanomaterials including SiC and BP Taweesin Rerkhajornnamkul a,b * and Tanakorn Osotchan a,b a Materials Science and Engineering Program, Faculty of Science, Mahidol University, Rama VI Road, Phyathai, Bangkok 10400 b Nanoscience and Nanotechnology Center, Faculty of Science, Mahidol University, Rama VI Road, Phyathai, Bangkok 10400 Abstract Honeycomb sheet, graphene like, structure has been interested and the planar structures of silicon carbide (h-SiC), boron phosphide (h-BP) and mixed of both materials h-(SiC) 1-x (BP) x were investigated with x values of 0.00, 0.25, 0.50, 0.75 and 1.00. The 2 atoms per unit cell of hexagonal and 4, 8 and 16 atoms per unit cell of orthorhombic configurations were used in atomic structure calculation with 1.5 nm space distance between layers of graphene like structure. The calculation is set for 500 eV energy cutoff, using local density approximation (LDA) exchange-correlation functional, 200 Ry mesh cutoff. The lattice constant was varied to evaluate the stable atomic structures together with the average bond length. Then, the band structures including energy band gap, used to determine electronic property, was calculated to guide the utilization of novel electronic device for new millennium. © 2017 Elsevier Ltd. All rights reserved. Selection and/or Peer-review under responsibility of The 5th Thailand International Nanotechnology Conference (NanoThailand2016). Keywords: Band structure; graphene like; planar structure of SiC and BP 1. Introduction New materials for compensated resource and energy, electronic devices and comfortable applicants have been developed and graphene and its like structures have been discovered. They are two-dimensional (2D) structural materials which have many unique electronic properties for each compound. In our work, the graphene like structure h-(SiC) 1-x (BP) x compounds are investigated theoretically especially on their lattice constants and energy band * Corresponding author. Tel.: +66-44-217040 ext 1480; fax: +66-44-217047. E-mail address: rtpoppap@gmail.com