Does a pristine, unreconstructed SrTiO$_3$(001) surface exist?

TL;DR

This study investigates whether a pristine, unreconstructed SrTiO$_3$(001) surface exists by examining its atomic structure and stability after cleaving and thermal treatment, revealing disorder and defect migration.

Contribution

It provides experimental evidence on the existence and stability of a bulk-truncated (1×1) SrTiO$_3$(001) surface under various conditions.

Findings

Intrinsic point defects migrate above 200°C.

Disordered surface layers form at 400–500°C.

(1×1) periodicity persists in LEED despite disorder.

Abstract

The surfaces of perovskite oxides affect their functional properties, and while a bulk-truncated (1$\times$1) termination is generally assumed, its existence and stability is controversial. Here, such a surface is created by cleaving the prototypical SrTiO$_3$(001) in ultra-high vacuum, and its response to thermal annealing is observed. Atomically resolved nc-AFM shows that intrinsic point defects on the as-cleaved surface migrate at temperatures above 200\,$^\circ$C. At 400--500\,$^\circ$C, a disordered surface layer forms, albeit still with a (1$\times$1) pattern in LEED. Purely TiO$_2$-terminated surfaces, prepared by wet-chemical treatment, are also disordered despite their (1$\times$1) periodicity in LEED.