期刊
PHYSICAL REVIEW LETTERS
卷 112, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.112.246803
关键词
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资金
- UYBHM at Istanbul Technical University [2-024-2007]
- Academy of Sciences of Turkey (TUBA)
- Marie Curie [FP7-PEOPLE-2013IEF, 628876]
- Grupos Consolidados UPV/ EHU del Gobierno Vasco [IT578-13]
Silica or SiO2, the main constituent of Earth's rocks has several 3D complex crystalline and amorphous phases, but it does not have a graphitelike layered structure in 3D. Our theoretical analysis and numerical calculations from the first principles predict a single-layer honeycomblike allotrope, ha silica, which can be viewed to be derived from the oxidation of silicene and it has intriguing atomic structure with reentrant bond angles in hexagons. It is a wide band gap semiconductor, which attains remarkable electromechanical properties showing geometrical changes under an external electric field. In particular, it is an auxetic metamaterial with a negative Poisson's ratio and has a high piezoelectric coefficient. While it can form stable bilayer and multilayer structures, its nanoribbons can show metallic or semiconducting behavior depending on their chirality. Coverage of dangling Si orbitals by foreign adatoms can attribute new functionalities to ha silica. In particular, Si2O5, where Si atoms are saturated by oxygen atoms from top and bottom sides alternatingly can undergo a structural transformation to make silicatene, another stable, single layer structure of silica.
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