2-7 June 2019
Simon Fraser University
America/Vancouver timezone
Welcome to the 2019 CAP Congress Program website! / Bienvenue au siteweb du programme du Congrès de l'ACP 2019 !

29 - Shallow donor complexes in ZnO containing Sn and Li studied by photoluminescence and density functional theory

4 Jun 2019, 16:53
SWH 9082 + AQ South-East Corner / coin sud-est (Simon Fraser University)

SWH 9082 + AQ South-East Corner / coin sud-est

Simon Fraser University

Poster not-in-competition (Graduate Student) / Affiche non-compétitive (Étudiant(e) du 2e ou 3e cycle) Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM) DCMMP Poster Session & Student Poster Competition Finals (10) | Session d'affiches DPMCM et finales du concours d'affiches étudiantes (10)


Mr Abbas Nakhlband (Simon Fraser University)



Lithium has been investigated in detail as a possible acceptor impurity in zinc oxide for many years. Li interstitials are highly mobile in ZnO under Zn rich conditions and diffuse easily at temperatures as low as 300C. In contrast Li substituting for Zn sites is a known deep acceptor and is formed at much lower concentrations under O-rich conditions. [1]. The high mobility of Li ions means that the formation of defect pairs between Li and various oppositely charged impurities should be easily formed. Defect pairs have been proposed as possible candidates for p-doping in ZnO as well as for quantum qubits, and therefore the subject is of general technological interest. In this work we study the low temperature photoluminescence (PL) of high quality ZnO single crystals grown by chemical vapor transport, and co-doped with Sn and Li. A well known donor bound exciton PL feature labeled I10 has recently been shown to include Sn substituting for Zn sites.[2] In this study we show that an additional constituent, likely substitutional Li is also involved. Annealing Sn-doped samples under oxygen poor conditions results in a complete suppression of I10, while diffusion of Li in air at ~700C results in a clear enhancement of I10. Density functional theory within the GGA+U approximation has been used to investigate the formation energy and defect transition energies of SnZn-LiZn nearest neighbour complexes in ZnO. These calculations indicate that the Sn-Li complex is indeed a shallow donor as expected on simple charge considerations.

[1] K.E. Knutsen et al., J. Appl. Phys. 113, 023702 (2013)

[2] J. Cullen et al., Appl. Phys. Lett. 102, 192110 (2013)

Primary authors

Dr Manu Hegde (Simon Fraser University) Mr Abbas Nakhlband (Simon Fraser University) Prof. Simon Watkins (Simon Fraser University)


Mr Lynn Boatner (Simon Fraser University)

Presentation Materials

There are no materials yet.