Abstract
Tin monoxide (SnO) has attracted attention due to its p-type character and capability of ambipolar conductivity when properly doped, properties that are beneficial for the realization of complementary oxide thin film transistors technology, transparent flexible circuits and optoelectronic applications in general. However, its small fundamental band gap (0.7 eV) limits its applications as a solar energy material, therefore tuning its electronic properties is necessary for optimal performance. In this work, we use density functional theory (DFT) calculations to examine the electronic properties of the Sn1−xPbxO ternary oxide system. Alloying with Pb by element substitution increases the band gap of SnO without inducing defect states in the band gap retaining the anti-bonding character of the valence band maximum which is beneficial for p-type conductivity. We also examine the properties of the SnO/PbO heterojunction system in terms of band alignment and the effect of the most common intrinsic defects. A broken gap band alignment for the SnO/PbO heterojunction is calculated, which can be attractive for energy conversion in solar cells, photocatalysis and hydrogen generation.
Highlights
Tin monoxide (SnO) has attracted attention due to its p-type character and capability of ambipolar conductivity when properly doped, properties that are beneficial for the realization of complementary oxide thin film transistors technology, transparent flexible circuits and optoelectronic applications in general
Growth of SnO has been performed by various methods such as atomic layer deposition (ALD)[13], DC magneton sputtering[14], pulsed layer deposition (PLD)[15,16], chemical spray p yrolysis17, exfoliation[18] and thermal decomposition[19]
It is known that SnO has a small indirect gap of 0.7 eV found between the Γ-point of the valence band maximum (VBM) and the M-point of the conduction band minimum (CBM)[33]
Summary
Tin monoxide (SnO) has attracted attention due to its p-type character and capability of ambipolar conductivity when properly doped, properties that are beneficial for the realization of complementary oxide thin film transistors technology, transparent flexible circuits and optoelectronic applications in general. Its small fundamental band gap (0.7 eV) limits its applications as a solar energy material, tuning its electronic properties is necessary for optimal performance. It has been reported that hydrogen, which can be present as an unintentional impurity in most growth environments, forms complexes with Sn vacancies facilitating Sn vacancy formation[7] It has been s uggested[7] that H impurities and Sn vacancies act as shallow acceptors, contributing to a p-type conductivity. The growth of SnO will yield non stoichiometric compound as in the studies of Refs.[13,14,15,16,17,18,19]
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
