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Dive into the research topics where Seho Yi is active.

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Featured researches published by Seho Yi.


Physical Review B | 2016

Spin-orbit coupling effects on the stability of two competing structures in Pb/Si(111) and Pb/Ge(111)

Xiao-Yan Ren; Hyun-Jung Kim; Seho Yi; Yu Jia; Jun-Hyung Cho

This work was supported by a National Research Foundation of Korea (NRF) grant funded by the Korea Government (MSIP) (Grant No. 2015R1A2A2A01003248), by the National Basic Research Program of China (Grant No. 2012CB921300), the National Natural Science Foundation of China (Grant No. 11274280), and Innovation Scientists and Technicians Troop Construction Projects of Henan Province. The calculations were performed by the KISTI supercomputing center through the strategic support program (Grant No. KSC-2015-C3-044) for the supercomputing application research.


Physical Review B | 2016

Stacking-sequence-independent band structure and shear exfoliation of two-dimensional electride materials

Seho Yi; Jin-Ho Choi; Kimoon Lee; Sung Wng Kim; Chul Hong Park; Jun-Hyung Cho

The electronic band structure of crystals is generally influenced by the periodic arrangement of their constituent atoms. Specifically, the emerging two-dimensional (2D) layered structures have shown different band structures with respect to their stacking configurations. Here, based on first-principles density-functional theory calculations, we demonstrate that the band structure of the recently synthesized 2D


Scientific Reports | 2016

Nature of the Insulating Ground State of the Two-Dimensional Sn Atom Lattice on SiC(0001).

Seho Yi; Hunpyo Lee; Jin-Ho Choi; Jun-Hyung Cho

{\mathrm{Ca}}_{2}\mathrm{N}


Inorganic Chemistry | 2018

The Nature of Bonding in Bulk Tellurium Composed of One-Dimensional Helical Chains

Seho Yi; Zhili Zhu; Xiaolin Cai; Yu Jia; Jun-Hyung Cho

electride changes little for the stacking sequence as well as the lateral interlayer shift. This intriguing invariance of band structure with respect to geometrical variations can be attributed to a complete screening of


Nano Letters | 2016

Dimensionality and Valency Dependent Quantum Growth of Metallic Nanostructures: A Unified Perspective

Chenhui Li; Seho Yi; Congxin Xia; Ping Cui; Chun-Yao Niu; Jun-Hyung Cho; Yu Jia; Zhenyu Zhang

{[{\mathrm{Ca}}_{2}\mathrm{N}]}^{+}


Physical Review B | 2018

Competing edge structures of Sb and Bi bilayers generated by trivial and nontrivial band topologies

Sang-Min Jeong; Seho Yi; Hyunjung Kim; Jun-Hyung Cho; Gustav Bihlmayer

cationic layers by anionic excess electrons delocalized between the cationic layers. The resulting weak interactions between 2D dressed cationic layers give rise to not only a shallow potential barrier for bilayer sliding but also an electron-doping-facilitated shear exfoliation. Our findings open a route for exploration of the peculiar geometry-insensitive electronic properties in 2D electride materials, which will be useful for future thermally stable electronic applications.


Physical Chemistry Chemical Physics | 2017

Contrasting diffusion behaviors of O and F atoms on graphene and within bilayer graphene

Seho Yi; Jin-Ho Choi; Hyun-Jung Kim; Chul Hong Park; Jun-Hyung Cho

Semiconductor surfaces with narrow surface bands provide unique playgrounds to search for Mott-insulating state. Recently, a combined experimental and theoretical study of the two-dimensional (2D) Sn atom lattice on a wide-gap SiC(0001) substrate proposed a Mott-type insulator driven by strong on-site Coulomb repulsion U within a single-band Hubbard model. However, our systematic density-functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals shows that the Sn dangling-bond state largely hybridizes with the substrate Si 3p and C 2p states to split into three surface bands due to the crystal field. Such a hybridization gives rise to the stabilization of the antiferromagnetic order via superexchange interactions. The band gap and the density of states predicted by the hybrid DFT calculation agree well with photoemission data. Our findings not only suggest that the Sn/SiC(0001) system can be represented as a Slater-type insulator driven by long-range magnetism, but also have an implication that taking into account long-range interactions beyond the on-site interaction would be of importance for properly describing the insulating nature of Sn/SiC(0001).


arXiv: Mesoscale and Nanoscale Physics | 2018

Hydrogen adsorption-induced nanomagnetism at the Si(111)-(7

Xiaoyan Ren; Chun-Yao Niu; Seho Yi; Shunfang Li; Jun-Hyung Cho

Bulk tellurium (Te) is composed of one-dimensional (1D) helical chains which have been considered to be coupled by van der Waals (vdW) interactions. However, on the basis of first-principles density functional theory calculations, we here propose a different bonding nature between neighboring chains: i.e., helical chains made of normal covalent bonds are connected together by coordinate covalent bonds. It is revealed that the lone pairs of electrons of Te atoms participate in forming coordinate covalent bonds between neighboring chains, where each Te atom behaves as both an electron donor to neighboring chains and an electron acceptor from neighboring chains. This ligand-metal-like bonding nature in bulk Te results in the same order of bulk moduli along the directions parallel and perpendicular to the chains, contrasting with the large anisotropy of bulk moduli in vdW crystals. We further find that the electron effective masses parallel and perpendicular to the chains are almost the same as each other, consistent with the observed nearly isotropic electrical resistivity. It is thus demonstrated that the normal/coordinate covalent bonds parallel/perpendicular to the chains in bulk Te lead to a minor anisotropy in structural and transport properties.


Physical Review Letters | 2018

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Zhiyong Lin; Jin-Ho Choi; Qiang Zhang; Wei Qin; Seho Yi; Pengdong Wang; Lin Li; Yifan Wang; Hui Zhang; Zhe Sun; Laiming Wei; Shengbai Zhang; Tengfei Guo; Qingyou Lu; Jun-Hyung Cho; Changgan Zeng; Zhenyu Zhang

Quantum growth refers to the phenomena in which the quantum mechanically confined motion of electrons in metallic wires, islands, and films determines their overall structural stability as well as their physical and chemical properties. Yet to date, there has been a lack of a unified understanding of quantum growth with respect to the dimensionality of the nanostructures as well as the valency of the constituent atoms. Based on a first-principles approach, we investigate the stability of nanowires, nanoislands, and ultrathin films of prototypical metal elements. We reveal that the Friedel oscillations generated at the edges (or surfaces) of the nanostructures cause corresponding oscillatory behaviors in their stability, leading to the existence of highly preferred lengths (or thicknesses). Such magic lengths of the nanowires are further found to depend on both the number of valence electrons and the radial size, with the oscillation period monotonously increasing for alkali and group IB metals, and monotonously decreasing for transition and group IIIA-VA metals. When the radial size of the nanowires increases to reach ∼10 Å, the systems equivalently become nanosize islands, and the oscillation period saturates to that of the corresponding ultrathin films. These findings offer a generic perspective of quantum growth of different classes of metallic nanostructures.


Physical Review B | 2018

7) surface.

Seho Yi; Zhenyu Zhang; Jun-Hyung Cho

One-dimensional (1D) edge states formed at the boundaries of 2D normal and topological insulators have shown intriguing quantum phases such as charge density wave and quantum spin Hall effect. Based on first-principles density-functional theory calculations including spin-orbit coupling (SOC), we show that the edge states of zigzag Sb(111) and Bi(111) nanoribbons drastically change the stability of their edge structures. For zigzag Sb(111) nanoribbon, the Peierls-distorted or reconstructed edge structure is stabilized by a band-gap opening. However, for zigzag Bi(111) nanoribbon, such two insulating structures are destabilized due to the presence of topologically protected gapless edge states, resulting in the stabilization of a metallic, shear-distorted edge structure. We also show that the edge states of the Bi(111) nanoribbon exhibit a larger Rashba-type spin splitting at the boundary of Brillouin zone, compared to those of the Sb(111) nanoribbon. Interestingly, the spin textures of edge states in the Peierls-distorted Sb edge structure and the shear-distorted Bi edge structure have all three spin components perpendicular and parallel to the edges, due to their broken mirror-plane symmetry. The present findings demonstrate that the topologically trivial and nontrivial edge states play crucial roles in determining the edge structures of normal and topological insulators.

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Chul Hong Park

Pusan National University

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Zhenyu Zhang

Oak Ridge National Laboratory

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Kimoon Lee

Kunsan National University

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Sung Wng Kim

Sungkyunkwan University

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Yu Jia

Zhengzhou University

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Hyun-Jung Kim

Korea Institute for Advanced Study

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Hanno H. Weitering

Oak Ridge National Laboratory

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