arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 2002.11113cond-mat.mtrl-scicond-mat.mes-hall
收藏

Si(111)上一类新的二维蜂窝表面重构的证据

Evidence for a New Family of 2-D Honeycomb Surface Reconstructions on Si(111)

J. E. Demuth

摘要:

一个新的硅类家庭的重建表面Si 111进行了讨论,这似乎是一个多晶型的众所周知的家庭的表面重建最好的缩影的7 × 7表面。几个实验功能进行了讨论,导致这一新的结论,是最近建立的密度泛函理论,目前可能限制其预测这种2-D表面结构的能力的限制。从几个扫描隧道能谱研究的表面态电荷密度的原子位置提供了这种新的结构,这是由以前的几个测量支持的基础。新的结构似乎有利于故障的超细胞蜂窝状图案具有离域的2-D状态,使更大的sp2字符。这个顶层有一个不寻常的周期性π轨道结构,也与终端散装“悬挂键”交错,以创建一个2-D π键合结构。这种新的多晶型结构解决了7 x7表面的许多长期存在的悖论,而其不寻常的键合和结构可能有助于更好地理解一些硅烯以及111表面上其他2-D相的行为。

英文摘要:

A new silicene-like family of reconstructed surfaces on Si111 are discussed which appears to be a polymorph to the well know family of surface reconstructions best epitomized by the 7x7 surface. Several experimental features are discussed which lead to this new conclusion, as are several recently established limitations of density functional theory that may currently limit its ability to predict such 2-D surface structures. The atomic locations of the surface state charge densities from several Scanning Tunneling Spectroscopy studies provide the basis for this new structure which is supported by several previous measurements. The new structure appears to favor a faulted supercell honeycomb motif having a delocalized 2-D state that enables greater sp2 character. This top layer has an unusual periodic pi-orbital structure that also interdigitates with the terminal bulk 'dangling bonds' to create a 2-D pi-bonded structure. This new polymorphic structure resolves many long standing paradoxes of the 7x7 surface while its unusual bonding and structure may help better understand some silicenes as well as the behavior of other 2-D phases on 111 surfaces.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑