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Atomic structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msqrt><mml:mn>3</mml:mn></mml:msqrt><mml:mspace width="0.16em" /><mml:mo>×</mml:mo><mml:mspace width="0.16em" /><mml:msqrt><mml:mn>3</mml:mn></mml:msqrt></mml:mrow></mml:math>phase of silicene on Ag(111)
The growth of the $\sqrt{3}\phantom{\rule{0.16em}{0ex}}\ifmmode\times\else\texttimes\fi{}\phantom{\rule{0.16em}{0ex}}\sqrt{3}$ reconstructed silicene on Ag substrate has been frequently observed in experiments while its atomic structure and formation mechanism is poorly understood. Here, by first-principles calculations, we show that $\sqrt{3}\phantom{\rule{0.16em}{0ex}}\ifmmode\times\else\texttimes\fi{}\phantom{\rule{0.16em}{0ex}}\sqrt{3}$ reconstructed silicene is constituted by dumbbell units of Si atoms arranged in a honeycomb pattern. Our …