Exploration for Two-Dimensional Electrides via Database Screening and Ab Initio Calculation
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 search for 2D electrides by an approach combining crystal structure databases and ab initio electronic structure calcula...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2014-08-01
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| Series: | Physical Review X |
| Online Access: | http://doi.org/10.1103/PhysRevX.4.031023 |