Electronic Structure and Chemical Bonding in Alkaline Earth Metal Subnitrides: Photoemission Studies and Band Structure Calculations

Steinbrenner, U.; Adler, Peter; Holle, W.G. Von; Simon, Arndt

doi:10.1016/s0022-3697(98)00071-7

Cited by 21 publications

(19 citation statements)

References 17 publications

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“…We note the N 1s peak is positioned at a different binding energy than previously reported, but we cannot compare absolute positions because a carbon reference was not provided. 32 The C 1s core electron spectra ( Figure S6) show that adventitious carbon species such as adsorbates from 1,3-dioxolane are present on the surface of our 2D Ca2N. While our measurements are representative of the surface of our liquid exfoliated 2D Ca2N, future XPS measurements on clean 2D Ca2N cleaved in vacuum are needed to provide more insight into the intrinsic bonding and local environment of 2D Ca2N.…”

Section: Resultsmentioning

confidence: 90%

“…These values are in agreement with our 3D Ca 2 N (Table 1) and with previous literature. 32 After the measurement, we exposed the 2D Ca 2 N samples to ambient conditions, which caused oxidation and a corresponding color change from black to white. The XPS spectra of these deliberately oxidized samples match that of Ca(OH) 2 (Figure 3a, S6, and Table 1).…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Experimental Demonstration of an Electride as a 2D Material

et al. 2016

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Because of their loosely bound electrons, electrides offer physical properties useful in chemical synthesis and electronics. For these applications and others, nanosized electrides offer advantages, but to-date no electride has been synthesized as a nanomaterial. We demonstrate experimentally that CaN, a layered electride in which layers of atoms are separated by layers of a 2D electron gas (2DEG), can be exfoliated into two-dimensional (2D) nanosheets using liquid exfoliation. The 2D flakes are stable in a nitrogen atmosphere or in select organic solvents for at least one month. Electron microscopy and elemental analysis reveal that the 2D flakes retain the crystal structure and stoichiometry of the parent 3D CaN. In addition, the 2D flakes exhibit metallic character and an optical response that agrees with DFT calculations. Together these findings suggest that the 2DEG is preserved in the 2D material. With this work, we bring electrides into the nanoregime and experimentally demonstrate a 2D electride, CaN.

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Section: Resultsmentioning

confidence: 90%

Section: ■ Results and Discussionmentioning

confidence: 99%

Experimental Demonstration of an Electride as a 2D Material

et al. 2016

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“…Subnitrides of the alkaline earth metals are only known for the heavier ones, calcium, strontium and barium,3–7 whereas beryllium and magnesium form nitrides of the formula Ae 3 N 2 . The binary subnitrides Ca 2 N,6,8–10 Sr 2 N6,10,11 and Ba 2 N6,10 can be described as [(Ae 2 N) + · e] in similarity to the alkali metal suboxides. The structures consist of a cubic close packing of the alkaline earth metal atoms in which all octahedral gaps of every second layer are occupied by nitrogen atoms ( anti ‐CdCl 2 type).…”

Section: Alkaline Earth Metal Subnitrides and Suboxidesmentioning

confidence: 99%

Subvalent Organometallic Compounds of the Alkaline Earth Metals in Low Oxidation States

Krieck

Reiher

et al. 2010

Eur J Inorg Chem

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“…Electrides with higher degree of connectivity are more desirable for catalytic and other applications. Ca 2 N, being predicted to possess intrinsic nucleus-free 2D electrons gas at the interlayer space 22 , has been prepared by Gregory and coworkers 23 , and later confirmed to be a 2D electride by Lee and coworkers 24 . With the anionic electrons directly exposed to the environment, Ca 2 N is able to greatly promote the ammonia synthesis 3,13 .…”

Section: Introductionmentioning

confidence: 98%

Computational design of flexible electrides with nontrivial band topology

Zhu

Wang

et al. 2019

Phys. Rev. Materials

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Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we employ the first-principles crystal structure prediction to identify a new prototype of A3B electride in which both interlayer spacings and intralayer vacancies provide channels to accommodate the excess electrons in the crystal. This A3B type of structure is calculated to be thermodynamically stable for two alkaline metals oxides (Rb3O and K3O). Remarkably, the unique feature of multiple types of cavities makes the spatial arrangement of anionic electrons highly flexible via elastic strain engineering and chemical substitution, in contrast to the previously reported electrides characterized by a single topology of interstitial electrons. More importantly, our first-principles calculations reveal that Rb3O is a topological Dirac nodal line semimetal, which is induced by the Rb-s → O-p band inversion at the general electronic k momentums in the Brillouin zone associated with the intersitial electric charges. The discovery of flexible electride in combining with topological electronic properties opens an avenue for electride design and shows great promises in electronic device applications. arXiv:1811.11334v2 [cond-mat.mtrl-sci]

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Electronic Structure and Chemical Bonding in Alkaline Earth Metal Subnitrides: Photoemission Studies and Band Structure Calculations

Cited by 21 publications

References 17 publications

Experimental Demonstration of an Electride as a 2D Material

Experimental Demonstration of an Electride as a 2D Material

Subvalent Organometallic Compounds of the Alkaline Earth Metals in Low Oxidation States

Computational design of flexible electrides with nontrivial band topology

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