Invited Speaker
Methylammonium lead iodide (MAPbI${}_3$) belongs to perovskite material class with chemical formula ABX${}_3$, with A and B representing cations and X as anions. Ideal perovskite has cubic crystal structure with corner-sharing BX${}_6$ octahedral network and A at the center of the octahedral cage. This hybrid organic-inorganic perovskite has recently gained intensive research interests due to...
Substitutianal alloys are disorder crystalline structure. First-principles study of alloys is take a large supercell that equivalent to a pure random structure. Structural models used in calculations of properties of substitutional random A_(1-x) B_x alloys are usually constructed by randomly occupying each of the N sites of a large periodic supercell by A or B. However this method is not...
Chaiyawan Saipaopan 1, Wachiraporn Choopan 2 and Watchara Liewrian 1*
1 Theoretical and Computational Science Center (TaCS), Science Laboratory Building,
Department of Physics, Faculty of Science, King Mongkut’s University of Technology Thonburi, Bangmod, Thungkru, Bangkok, Thailand 10140
2 General Education Section, Christian University of Thailand, Donyaihom District Nakhonpathom,...
