An electride with a large six-electron ring

Wagner, Michael J.; Huang, Rui; Eglin, Judith L.; Dye, James

doi:10.1038/368726a0

Cited by 74 publications

(67 citation statements)

References 12 publications

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“…However, organic electrides can only be stabilized under low temperatures and an inert gas atmosphere, hindering the further investigation of their properties and application studies [8].…”

Section: Introductionmentioning

confidence: 99%

Realization of Mott-insulating electrides in dimorphic Yb5Sb3

Wang

Jiang

et al. 2018

Phys. Rev. B

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Electrides are exotic compounds that confine anionic electrons in periodically distributed sub-nanometer sized spaces. Such trapped electrons are free from onsite electron-nuclear interaction and exhibit unconventional properties. Here, we report that αand β-Yb 5 Sb 3 are inorganic electrides exhibiting Mott insulating features. Anionic electrons are stabilized in the quasi-one and-zero dimensional spaces, and give rise to the corresponding electride bands near their Fermi levels. Despite the partially occupied electronic picture, both of these systems exhibit semiconducting conductivity and Currie-type magnetism with S = 1/2 moments, demonstrating electron localization. These findings show that anionic electrons can serve as magnetic centers, and inorganic electrides have the potential to act as strongly correlated materials even without the presence of localized atomic orbitals.

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“…However, organic electrides can only be stabilized under low temperatures and an inert gas atmosphere, hindering the further investigation of their properties and application studies [8].…”

Section: Introductionmentioning

confidence: 99%

Realization of Mott-insulating electrides in dimorphic Yb5Sb3

Wang

Jiang

et al. 2018

Phys. Rev. B

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“…Electride, named by James L. Dye et al in 1978 [1], first described a synthesized solid film of alkali metal chelated by 2,2,2-cryptand, where electrons are not bound to the constituent components (metals or molecules) but instead are localized in atomic-scale cavities of the film [2]. The concept of non-nuclear-bound electrons (or anionic electrons) was first validated in an alkalimetal and ammonia solution, where its clear blue color was attributed to "metallic fog" [3], electrons surrounded by solvent molecules [4,5], and further confirmed in various solids by a sequence of experimental [6][7][8] and theoretical [9][10][11] analyses. The availability of highly mobile non-nucleus-bound electrons makes electrides promising for optoelectric and catalytic applications.…”

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confidence: 99%

First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks

2018

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We introduce a new class of electrides with nontrivial band topology by coupling materials database searches and first-principles-calculations-based analysis. Cs_{3}O and Ba_{3}N are for the first time identified as a new class of electrides, consisting of one-dimensional (1D) nanorod building blocks. Their crystal structures mimic β-TiCl_{3} with the position of anions and cations exchanged. Unlike the weakly coupled nanorods of β-TiCl_{3}, Cs_{3}O and Ba_{3}N retain 1D anionic electrons along the hollow interrod sites; additionally, a strong interrod interaction in C_{3}O and Ba_{3}N induces band inversion in a 2D superatomic triangular lattice, resulting in Dirac-node lines. The new class of electrides can serve as a prototype for new electrides with a large cavity space that can be utilized for various applications such as gas storage, ion transport, and metal intercalation.

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“…These unusual compounds contain alkali metal anions as well as alkali cations embedded in organic molecules such as cryptands or crown ethers [3][4][5][6][7] . The unique oxidation states are related to another class of materials called electrides 6,[8][9][10][11][12] . When electrons are detached from the embedded alkali metal cations, they either fill the interstitial sites forming electrides or, if there are alkali metal atoms available, bind loosely to them.…”

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confidence: 99%

Pressure-stabilized lithium caesides with caesium anions beyond the −1 state

Botana

Miao

2014

Nat Commun

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Main group elements usually assume a typical oxidation state while forming compounds with other species. Group I elements are usually in the þ 1 state in inorganic materials. Our recent work reveals that pressure may make the inner shell 5p electrons of Cs reactive, causing Cs to expand beyond the þ 1 oxidation state. Here we predict that pressure can cause large electron transfer from light alkali metals such as Li to Cs, causing Cs to become anionic with a formal charge much beyond À 1. Although Li and Cs only form alloys at ambient conditions, we demonstrate that these metals form stable intermetallic Li n Cs (n ¼ 1-5) compounds under pressures higher than 100 GPa. Once formed, these compounds exhibit interesting structural features, including capped cuboids and dimerized icosahedra. Finally, we explore the possibility of superconductivity in metastable LiCs and discuss the effect of the unusual anionic state of Cs on the transition temperature.

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An electride with a large six-electron ring

Cited by 74 publications

References 12 publications

Realization of Mott-insulating electrides in dimorphic Yb5Sb3

Realization of Mott-insulating electrides in dimorphic Yb5Sb3

First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks

Pressure-stabilized lithium caesides with caesium anions beyond the −1 state

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