2016/02/08 by Nasrin Sarmadian, Rolando Saniz, Bart Partoens +1 · 72 citations
Engineering · Materials Science · Physics and Astronomy · #Advanced Semiconductor Detectors and Materials #Band gap #Copper-based nanomaterials and applications #Doping #Effective mass (spring–mass system) #Electron mobility #Electronic and Structural Properties of Oxides #Electronics #Impurity #Semiconductor #Wide-bandgap semiconductor #cond-mat.mtrl-sci
paper · pdf · doi:10.1038/srep20446
published in Scientific Reports 6(1), 20446 (Nature Portfolio)
openalex publication_date 2016/02/08 · arxiv created 2016/02/29 · arxiv updated 2016/03/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Fulfillment of the promise of transparent electronics has been hindered until now largely by the lack of semiconductors that can be doped p-type in a stable way, and that at the same time present high hole mobility and are highly transparent in the visible spectrum. Here, a high-throughput study based on first-principles methods reveals four oxides, namely X2SeO2, with X = La, Pr, Nd, and Gd, which are unique in that they exhibit excellent characteristics for transparent electronic device applications - i.e., a direct band gap larger than 3.1 eV, an average hole effective mass below the electron rest mass, and good p-type dopability. Furthermore, for La2SeO2 it is explicitly shown that Na impurities substituting La are shallow acceptors in moderate to strong anion-rich growth conditions, with low formation energy, and that they will not be compensated by anion vacancies VO or VSe.