0000000000319823
AUTHOR
Wolf Gero Schmidt
Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces
The microscopic structure of the polar (000$\overline{1}$) and (0001) surfaces of lithium niobate is investigated by atomic-resolution frequency modulation atomic force microscopy and first-principles calculations. It is found that the surface reconstructs at annealing temperatures sufficiently high to drive off external adsorbates. In particular a ($\sqrt{7}\ifmmode\times\else\texttimes\fi{}\sqrt{7}$)$R$19.1${}^{\ensuremath{\circ}}$ reconstruction is found for the (000$\overline{1}$) surface. Density-functional theory calculations show that---apart from the $(\sqrt{7}\ifmmode\times\else\texttimes\fi{}\sqrt{7})$---a series of adatom-induced surface reconstructions exist that lower the surfa…
Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy
S. Rode,1 R. Holscher,2 S. Sanna,2 S. Klassen,1 K. Kobayashi,3 H. Yamada,3 W. G. Schmidt,2 and A. Kuhnle1,* 1Institut fur Physikalische Chemie, Fachbereich Chemie, Johannes Gutenberg-Universitat Mainz, Jakob-Welder-Weg 11, 55099 Mainz, Germany 2Lehrstuhl fur Theoretische Physik, Universitat Paderborn, 33095 Paderborn, Germany 3Department of Electronic Science and Engineering, Kyoto University, Katsura, Nishikyo, Kyoto 615-8510, Japan (Received 31 March 2012; revised manuscript received 12 June 2012; published 29 August 2012)
Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory
The ${\text{LiNbO}}_{3}$(2$\overline{1}\overline{1}0$) surface, commonly referred to as X-cut, is investigated by means of atomic force microscopy and first-principles calculations. Atomically resolved atomic force microscopy images show geometrical patterns not compatible with truncated bulk terminations. Fast Fourier transformation of the real-space images shows an oblique surface unit cell with lattice parameters of $a=0.75\ifmmode\pm\else\textpm\fi{}0.02$ nm, $b=0.54\ifmmode\pm\else\textpm\fi{}0.02$ nm, and $\ensuremath{\alpha}=94.{8}^{\ensuremath{\circ}}$. Comparing these experimental results with the theoretical models of stable surface terminations provides clear evidence for the for…