Alkali doping of Zn$_{\rm x}$Mg$_{\rm 1-x}$O alloys for $p$-type conductivity

TL;DR

This study demonstrates that alkali-doped Zn$_{x}$Mg$_{1-x}$O alloys can be effectively doped to achieve $p$-type conductivity in ultrawide-bandgap oxides, overcoming hole localization issues present in other materials.

Contribution

It reveals that Zn$_{x}$Mg$_{1-x}$O alloys remain $p$-type dopable within the stable rocksalt structure and have shallow alkali acceptors unaffected by donor compensation.

Findings

Zn$_{x}$Mg$_{1-x}$O alloys are $p$-type dopable with band gaps over 4 eV.

Alkali acceptors in these alloys are shallow and resist donor compensation.

The alloys are promising for ultrawide-bandgap $p$-type oxide applications.

Abstract

Nearly all ultrawide-bandgap oxides are affected by hole localization that limits $p$-type conductivity and thus potential applications for these materials. Highly localized holes, also known as hole polarons, trap in the vicinity of acceptor dopants, giving rise to large ionization energies and severely constraining free hole concentrations. Though this hole-trapping behavior affects wurtzite zinc oxide, rocksalt zinc oxide was recently found to be resistant to the formation of hole polarons. Moreover, $p$-type doping using lithium acceptors was predicted to be achievable. While rocksalt zinc oxide is metastable and has a band gap near $\sim$3 eV, here it is found that zinc magnesium oxide (Zn$_{\rm x}$Mg$_{\rm 1-x}$O) alloys remain $p$-type dopable within the stable rocksalt crystal structure, in addition to exhibiting band gaps in excess of 4 eV. As in rocksalt zinc oxide, alkali acceptors are shallow in zinc magnesium oxide and do not appear to be affected by donor compensation. These results indicate that alkali-doped Zn$_{\rm x}$Mg$_{\rm 1-x}$O alloys are a promising system for achieving a $p$-type dopable ultrawide-bandgap oxide.