Strong Localization of Anionic Electrons at Interlayer for Electrical and Magnetic Anisotropy in Two-Dimensional Y<sub>2</sub>C Electride

Park, Jong-Ho; Lee, Kimoon; Lee, Seung Yong; Nandadasa, Chandani N.; Kim, Sungho; Lee, Kyu Hyoung; Lee, Young Hee; Hosono, Hideo; Kim, Seong‐Gon; Kim, Sung Wng

doi:10.1021/jacs.6b11950

Cited by 86 publications

(99 citation statements)

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“…It was recently reported that the layer structured [Ca 2 N] + •e − electride showed an extremely high mobility as well as distinct anisotropic properties in electrical transport and work function, which were ascribed to the fully delocalized high-density IAEs (1.39 × 10 22 cm −3 ) confined in two-dimensional (2D) interlayer space. The layer structured [Ca 2 N] + •e − electride was referred to as "2D electride" 8 , triggering the development of various 2D electrides [11][12][13][14] .…”

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confidence: 99%

Ferromagnetic quasi-atomic electrons in two-dimensional electride

et al. 2020

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An electride, a generalized form of cavity-trapped interstitial anionic electrons (IAEs) in a positively charged lattice framework, shows exotic properties according to the size and geometry of the cavities. Here, we report that the IAEs in layer structured [Gd 2 C] 2+ •2e − electride behave as ferromagnetic elements in two-dimensional interlayer space and possess their own magnetic moments of~0.52 μ B per quasi-atomic IAE, which facilitate the exchange interactions between interlayer gadolinium atoms across IAEs, inducing the ferromagnetism in [Gd 2 C] 2+ •2e − electride. The substitution of paramagnetic chlorine atoms for IAEs proves the magnetic nature of quasi-atomic IAEs through a transition from ferromagnetic [Gd 2 C] 2+ •2e − to antiferromagnetic Gd 2 CCl caused by attenuating interatomic exchange interactions, consistent with theoretical calculations. These results confirm that quasi-atomic IAEs act as ferromagnetic elements and trigger ferromagnetic spin alignments within the antiferromagnetic [Gd 2 C] 2+ lattice framework. These results present a broad opportunity to tailor intriguing ferromagnetism originating from quasi-atomic interstitial electrons in low-dimensional materials.

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Ferromagnetic quasi-atomic electrons in two-dimensional electride

et al. 2020

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“…19 The Y 2 C electride was also realized experimentally and furthered our understanding of the interplay between magnetism and localized electrons. [20][21][22][23] These findings of inorganic electrides provide new possibilities for both fundamental science and applications.…”

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confidence: 96%

Identifying quasi-2D and 1D electrides in yttrium and scandium chlorides via geometrical identification

Wan

Xiao

et al. 2018

npj Comput Mater

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Developing and understanding electron-rich electrides offers a promising opportunity for a variety of electronic and catalytic applications. Using a geometrical identification strategy, here we identify a new class of electride material, yttrium/scandium chlorides Y(Sc) x Cl y (y:x < 2). Anionic electrons are found in the metal octahedral framework topology. The diverse electronic dimensionality of these electrides is quantified explicitly by quasi-two-dimensional (2D) electrides for [YCl] + •e − and [ScCl] + •e − and one-dimensional (1D) electrides for [Y 2 Cl 3 ] + •e − , [Sc 7 Cl 10 ] + •e − , and [Sc 5 Cl 8 ] 2+ •2e − with divalent metal elements (Sc 2+ : 3d 1 and Y 2+ : 4d 1 ). The localized anionic electrons were confined within the inner-layer spaces, rather than inter-layer spaces that are observed in A 2 B-type 2D electrides, e.g. Ca 2 N. Moreover, when hydrogen atoms are introduced into the host structures to form YClH and Y 2 Cl 3 H, the generated phases transform to conventional ionic compounds but exhibited a surprising reduction of work function, arising from the increased Fermi level energy, contrary to the conventional electrides reported so far. Y 2 Cl 3 was experimentally confirmed to be a semiconductor with a band gap of 1.14 eV. These results may help to promote the rational design and discovery of new electride materials for further technological applications.npj Computational Materials (2018) 4:77 ; https://doi.

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“…Despite many endeavors since the first crystalline electride grown three decades ago, 3 only a few electrides have been synthesized. [4][5][6][7][8][9][10][11][12][13] The first room-temperature stable inorganic electride was reported in 2003 by removing oxygen ions from the crystallographic cages of 12CaO.7Al 2 O 3 , yielding [Ca 24 Al 28 O 64 ] 4+ (4e -). 5 The high density of anionic electrons with loosely bounded nature makes [Ca 24 Al 28 O 64 ] 4+ (4e -) promising for a plethora of applications, such as efficient thermionic emitters, 14 electroninjection electrode for organic light-emitting diodes, 15,16 and high performance catalysts.…”

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confidence: 99%

Discovery of Hidden Classes of Layered Electrides by Extensive High-Throughput Material Screening

et al. 2019

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Despite their extraordinary properties, electrides are still a relatively unexplored class of materials with only a few compounds grown experimentally. Especially for layered electrides, the current researches mainly focus on several isostructures of Ca 2 N with similar interlayer two-dimensional (2D) anionic electrons. An extensive screening for different layered electrides is still missing. Here, by screening materials with anionic electrons for the structures in Materials Project, we uncover 12 existing materials as new layered electrides. Remarkably, these layered electrides demonstrate completely different properties from Ca 2 N. For example, unusual fully spin-polarized zero-dimensional (0D) anionic electrons are shown in metal halides with MoS 2 -like structures; unique one-dimensional (1D) anionic electrons are confined within the tubes of the quasi-1D structures; a coexistence of magnetic and non-magnetic anionic electrons is found in ZrCl-like structures and a new ternary Ba 2 LiN with both 0D and 1D anionic electrons. These materials not only significantly increase the pool of experimentally synthesizable layered electrides but also are promising to be exfoliated into advanced 2D materials. ASSOCIATED CONTENT Supporting Information.This material is available free of charge via the Internet at http://pubs.acs.org." Basic structural, electronic and magnetic properties, as well as the distribution of anionic electrons of the 12 layered electrides

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Strong Localization of Anionic Electrons at Interlayer for Electrical and Magnetic Anisotropy in Two-Dimensional Y₂C Electride

Cited by 86 publications

References 25 publications

Ferromagnetic quasi-atomic electrons in two-dimensional electride

Ferromagnetic quasi-atomic electrons in two-dimensional electride

Identifying quasi-2D and 1D electrides in yttrium and scandium chlorides via geometrical identification

Discovery of Hidden Classes of Layered Electrides by Extensive High-Throughput Material Screening

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Strong Localization of Anionic Electrons at Interlayer for Electrical and Magnetic Anisotropy in Two-Dimensional Y2C Electride

Cited by 86 publications

References 25 publications

Ferromagnetic quasi-atomic electrons in two-dimensional electride

Ferromagnetic quasi-atomic electrons in two-dimensional electride

Identifying quasi-2D and 1D electrides in yttrium and scandium chlorides via geometrical identification

Discovery of Hidden Classes of Layered Electrides by Extensive High-Throughput Material Screening

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Strong Localization of Anionic Electrons at Interlayer for Electrical and Magnetic Anisotropy in Two-Dimensional Y₂C Electride