Universal strain engineering for enhancing the hole mobility and dopability in p-type semiconductors

Modern electronic and optoelectronic devices rely on the development of the complementary pair of n-type and p-type semiconductors. However, it is often seen that n-type semiconductors are easier to realize and offer superior performances than their p-type counterparts, with p-type semiconductors showing much lower hole mobility and inefficient carrier doping. Here, by using first-principles studies, we demonstrate that lattice strain engineering can be a universal approach to enhance the hole mobility and dopability in p-type semiconductors. A broad class of p-type semiconductors, including anion p orbital derived valence band compounds (nitrides, oxides, halides, and chalcogenides), s orbital based post-transition metal oxides (e.g., SnO), and d-orbital based transition metal oxides (e.g., NiO), have been applied on strain to demonstrate their valence band modulation ability for the purpose of increasing the hole mobility and p-type dopability. We show that compressive lattice strain generally results in an upshifted valence band edge and reduced effective hole mass, leading to enhanced p-type dopability and increased hole mobility. Our work highlights strain engineering as a universal and effective approach for achieving better performed p-type compound semiconductors.