For the clean metal surface, Cu(111), the well-known L-gap surface state around the Γ-point is found in angle-resolved photoemission spectroscopy (ARPES) experiments35. Using the graphene’s lattice constant, the calculated binding energy of this state at the Γ-point is −909 meV. [Not...
The epitaxy of Pb on Cu(111) at temperatures between 180 and 550 K was studied with spot profile analysing LEED (SPA-LEED). At low coverages (θ pb < 0.5 ML) Pb grows with a lattice constant larger than that of bulk Pb (0.3%–0.8% depending on temperature). The layer is ...
The calculated lattice constant for bulk Cu, 3.60 Å, is in excellent agreement with the experimental value of 3.61 Å at room-temperature24,25. In the bare Cu film (Fig. 2a), after geometry optimisation, the Cu-Cu distance changes by <3%. A tendency to reduce the bond ...
We investigate complex spin structures of frustrated two-dimensional Cr, Mn, and Fe monolayer magnets on a triangular lattice provided by the Cu(111) substrate. First we establish a zero-temperature phase diagram of possible spin structures on the basis of the classical Heisenberg model up to ...
Anisotropy in the lattice constant of TiC was significant near the diamond–TiC interface, wherein the lattice constant in the orientation parallel to the diamond [100] was larger than those perpendicular to the diamond [100], for the TiC layer grown on the diamond (100) plane. For a TiC ...
On Cu(100), the initial Ni epitaxy is found to result in expansion of the Ni lattice constant to achieve lateral coherence with the substrate, along with a reduction in the Ni interplanar spacing perpendicular to the substrate, approximately maintaining a fixed Ni-Ni nearest-neighbor distance. ...
CO和H2分子在Cu111面的吸附和溶剂化效应左志军1黄伟1韩培德2李志红11太原理 工大学煤科学与技术教育部和山西省重点实验室太原0300242太原理工大学材料科 学与工程学院太原030024摘要采用广义梯度近似GGA密度泛函理论DFT的PW91方 法结合周期性模型在DNP基组下利用Dmol3模块研究了CO和H2在真空和液体石蜡 环境下在Cu111表面...
The misalignment between graphene and copper is below 0.4°, and the mismatch of the lattice constant between graphene and Cu(111) surface is approximately 4.6%. Extended Data Fig. 9 EADM analysis of graphene on the Cu(111) surface. The alignment of the graphene supercell on the surface of ...
Despite the large lattice mismatch between Cu and Pd (7.7%) the substrate p(1×1) LEED pattern persisted with clear distinct spots at least up to the equivalent coverage of 4 ML indicating that Cu starts to grow epitaxially with the Pd lattice constant (pseudomorphic growth). Photoemission ...
The atomic-scale STM image in b reveals a honeycomb structure with a lattice constant of roughly 0.25 nm, which coincides well with the lattice parameters of hBN. Notably, in some typical regions of hBN/Cu (111), moiré patterns with different periods are observed. For instance, d and e ...