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Evidence for Symmetry Breaking in the Ground State of the Si(111)‐7 × 7: The Origin of Its Metal–Insulator Transition
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.6 ) Pub Date : 2020-12-14 , DOI: 10.1002/pssb.202070045
J. E. Demuth 1
Affiliation  

The perspective and top view of an ideal room‐temperature unit cell of a new 5×5 honeycomb structure on Si(111), called the InterDigitated‐Faulted‐Adatom model (or DFA), are displayed on the frontispiece page. This 5×5 transforms at higher temperatures into a similar 7×7 DFA that is discussed by J. E. Demuth in article number 2000229. The 7×7 exhibits many paradoxical properties unaccounted for within current effective one‐electron calculations. Evidence is presented for a Jahn–Teller distortion in its ground state and phonon‐assisted adatom charge density distortions with increasing temperature. The symmetry properties of this new class of structures and the formation of resonance surface states are shown to account for this unusual behavior.
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中文翻译:

Si(111)-7×7基态对称断裂的证据:其金属-绝缘体跃迁的起源

正面页面显示了Si(111)上新的5×5蜂窝结构的理想室温单位晶格的透视图和俯视图,称为InterDigitated-Faulted-Adatom模型(或DFA)。这种5×5在较高的温度下转变成类似的7×7 DFA,这由JE Demuth在文章编号2000229中讨论。7×7具有许多自相矛盾的特性,这些特性在当前有效的单电子计算中无法解释。证据表明,随着温度的升高,基恩-泰勒基态发生了畸变,声子辅助的吸附原子电荷密度发生了畸变。这种新型结构的对称性和共振表面状态的形成表明了这种异常行为。
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更新日期:2020-12-14
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