Easily doped p type, low hole effective mass, transparent oxides
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.
Scientific reports