التفاصيل البيبلوغرافية
| العنوان: |
Electronic Correlation Strength of Inorganic Electrides from First Principles |
| المؤلفون: |
Shu Kanno (11831334), Tomofumi Tada (1674688), Takeru Utsumi (11831337), Kazuma Nakamura (10339915), Hideo Hosono (1261941) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biotechnology, Ecology, new research targets, cation species surrounding, calculated strengths vary, correlated electron behaviors, electronic correlation strength, electronic correlation depends, electronic correlation, electron systems, tc superconductivity, sized spaces, results indicate, recently observed, novel materials, generally recognized, first principles, experimental trends, exotic properties, exceed 10, attracted attention, also found |
| الوصف: |
Strongly correlated electron systems, generally recognized as d- and f-electron systems, have attracted attention as a platform for the emergence of exotic properties such as high-Tc superconductivity. However, correlated electron behaviors have been recently observed in a group of novel materials, electrides, in which s-electrons are confined in subnanometer-sized spaces. Here, we present a trend of electronic correlation of electrides by evaluating the electronic correlation strength obtained from model parameters characterizing effective Hamiltonians of 19 electrides from first principles. The calculated strengths vary in the order 0D ≫ 1D > 2D ∼ 3D electrides, which corresponds to experimental trends, and exceed 10 (a measure for the emergence of exotic properties) in all of the 0D and some of the 1D electrides. We also found the electronic correlation depends on the cation species surrounding the s-electrons. The results indicate that low-dimensional electrides will be new research targets for studies of strongly correlated electron systems. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/journal_contribution/Electronic_Correlation_Strength_of_Inorganic_Electrides_from_First_Principles/17190078 |
| DOI: |
10.1021/acs.jpclett.1c03637.s001 |
| الاتاحة: |
https://doi.org/10.1021/acs.jpclett.1c03637.s001 |
| Rights: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.EE6113E9 |
| قاعدة البيانات: |
BASE |