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首页> 外文期刊>Physical review >Probing a divergent van Hove singularity of graphene with a Ca_2N support: A layered electride as a solid-state dopant
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Probing a divergent van Hove singularity of graphene with a Ca_2N support: A layered electride as a solid-state dopant

机译：用Ca_2N载体探测石墨烯的发散范霍夫奇异性：层状电子作为固态掺杂剂

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摘要

Layered electrides, as typified by Ca_2N, are unconventional quasi-two-dimensional metals with low work functions, in which the conduction electrons are localized between the cation layers as well as outside the surface. We have investigated the electronic structure of the interface between a layered electride and another material, using graphene on Ca_2N as an example. Our first-principles calculation shows that a graphene layer on Ca_2N remains flat and is doped to an extremely high density of n = 5 x 10~(14) cm~(-2) with its Fermi level (E_F) aligned with the logarithmically divergent van Hove singularity (VHS) at a saddle point of graphene's π~* band. This finding shows that graphene/Ca_2N is an ideal testing ground for the exploration of the many-body ground states, most notably superconducting states (p + ip wave, d wave, and / wave), predicted to appear when E_F is close to a VHS. The work function decreases abruptly upon monolayer attachment but reverts to that of Ca_2N upon bilayer attachment. This peculiar behavior is explained in terms of the distinctive electronic structures of the constituent materials and their bonding.
机译：以Ca_2N为代表的层状电子是具有低功函的非常规准二维金属，其中导电电子位于阳离子层之间以及表面之外。我们以Ca_2N上的石墨烯为例，研究了层状电子与另一种材料之间界面的电子结构。我们的第一性原理计算表明，Ca_2N上的石墨烯层保持平坦并被掺杂到n = 5 x 10〜（14）cm〜（-2）的极高密度，其费米能级（E_F）与对数发散对齐石墨烯π〜*谱带鞍点处的Van Hove奇异性（VHS）。这一发现表明，石墨烯/ Ca_2N是探索多体基态（最著名的是超导态（p + ip波，d波和//波））的理想测试平台，预计在E_F接近a时会出现。 VHS。功函数在单层附着时突然降低，但在双层附着时恢复为Ca_2N。通过构成材料的独特电子结构及其结合来解释这种特殊行为。

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  • 来源
    《Physical review》 |2017年第24期|245303.1-245303.8|共8页
  • 作者

    Takeshi Inoshita; Masaru Tsukada; Susumu Saito; Hideo Hosono;

  • 作者单位

    Materials and Structures Laboratory, Tokyo Institute of Technology, Nagatsuta, Kanagawa 226-8503, Japan,National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan;

    Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan;

    Department of Physics, Tokyo Institute of Technology, 2-12-1 Oh-okayama, Meguro-ku, Tokyo 152-8551, Japan,Materials and Structures Laboratory, Tokyo Institute of Technology, Nagatsuta, Kanagawa 226-8503, Japan;

    Materials and Structures Laboratory, Tokyo Institute of Technology, Nagatsuta, Kanagawa 226-8503, Japan;

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