Ternary inorganic electrides with mixed bonding

J Wang, Q Zhu, Z Wang, H Hosono - Physical Review B, 2019 - APS
A high-throughput screening based on first-principles calculations was performed to search
for new ternary inorganic electrides. From the available materials database, we identified …

Electrides with dinitrogen ligands

J Qu, S Zhu, W Zhang, Q Zhu - ACS applied materials & interfaces, 2019 - ACS Publications
Electrides are a class of materials which contain excess electrons occupying the cavities in
the crystal and playing the role of anions. To achieve electron-rich conditions, it usually …

Electronic Anisotropy and Superconductivity in One-Dimensional Electride Ca3Si

B Sa, R Xiong, C Wen, YL Li, P Lin, Q Lin… - The Journal of …, 2020 - ACS Publications
Inorganic electrides have gained remarkable attention for their intrinsic physical properties
derived from loosely bound anionic electrons. Herein, using ab initio evolutionary structure …

Exploration for Two-Dimensional Electrides via Database Screening and Ab Initio Calculation

T Inoshita, S Jeong, N Hamada, H Hosono - Physical Review X, 2014 - APS
Inspired by the recent demonstration that Ca 2 N is a two-dimensional electride in which
electrons near the Fermi level float between ionic layers, we have conducted a systematic …

Pressure-Induced Electride States in Intermetallic BaMg2 Compounds

X Li, Y Lv, D Li - The Journal of Physical Chemistry C, 2022 - ACS Publications
Despite credible reports of several high-pressure electrides of alkali earth metal elements,
high-pressure electrides composed of two elements of the alkali earth metal group remain a …

Prediction of stoner-type magnetism in low-dimensional electrides

X Sui, J Wang, W Duan - The Journal of Physical Chemistry C, 2019 - ACS Publications
Electrides are special ionic solids with excess cavity-trapped electrons serving as anions.
Despite the extensive studies on electrides, the interplay between electrides and magnetism …

As-Li electrides under high pressure: Superconductivity, plastic, and superionic states

Z Wan, W Xu, T Yang, R Zhang - Physical Review B, 2022 - APS
Inorganic electrides are a new class of compounds catering to the interest of scientists due
to the multiple usages exhibited by interstitial electrons in the lattice. However, the influence …

Sr3CrN3: A New Electride with a Partially Filled d-Shell Transition Metal

P Chanhom, KE Fritz, LA Burton… - Journal of the …, 2019 - ACS Publications
Electrides are ionic crystals in which the electrons prefer to occupy free space, serving as
anions. Because the electrons prefer to be in the pockets, channels, or layers to the atomic …

High-throughput identification of electrides from all known inorganic materials

LA Burton, F Ricci, W Chen, GM Rignanese… - Chemistry of …, 2018 - ACS Publications
In this paper, we present the results of a large-scale, high-throughput computational search
for electrides among all known inorganic materials. Analyzing a database of density …

Crystal Structures and Physicochemical Properties of and as Electride Materials

G Wang, Z Ma, JW Jiang, J Yang, YL Sun, ZF Qian… - Physical Review …, 2023 - APS
Electrides are a special family of materials with exotic physical properties and various crystal
structures in different dimensions. Among them, alkaline-earth metal nitrides (AE 2 N) have …