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Surface rippling has been observed when atoms of $X$ and $A$ are mixed on the$A$ substrate surface. The rippling amplitude has been estimated using hardsphere models. We present a gedanken experiment predicting a penetration ofsmall atoms into bulk through the (100) surface. To understand how theelectronic effects alter this picture, we investigate the surface rippling of$X/A(100)$ from first-principles, assuming $X=$ H to Bi except for noble gasesand $A=$ Cu, Ag, and Au. We show that the small atoms (such as H, C, N, O andF) attract electrons from the substrate due to the large electronegativity,which prevent them from passing through the void in the (100) surface. Thebehaviors of small atoms are further explored by studying lateral displacementsof the top layer in the $A$ substrate and a formation of the $X$ dimer above,below, and across the top layer. The present work provides an example tounderstand when atoms are not hard spheres.

Small atoms fall into bulk from non-close-packed surfaces?