Light Absorption Properties and Electronic Band Structures of Lead‐Vanadium Oxyhalide Apatites Pb 5 (VO 4 ) 3 X (X=F, Cl, Br, I)

Author:

Nakamura Masashi12,Oqmhula Kenji3,Utimula Keishu3,Eguchi Miharu4,Oka Kengo5,Hongo Kenta6789,Maezono Ryo910,Maeda Kazuhiko1ORCID

Affiliation:

1. Department of ChemistrySchool of ScienceTokyo Institute of Technology 2-12-1-NE-2 Ookayama, Meguro-ku Tokyo 152-8550 Japan

2. Takuma WorksKonoshima Chemical Co., Ltd. 80 Koda, Takuma, Mitoyo Kagawa 769-1103 Japan

3. School of Materials ScienceJAIST Asahidai 1-1 Nomi Ishikawa 923-1292 Japan

4. Research Center for Functional MaterialsNational Institute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan

5. Department of Applied ChemistryFaculty of Science and EngineeringKindai University 3-4-1, Kowakae, Higashi Osaka Osaka 577-8502 Japan

6. Research Center for Advanced Computing InfrastructureJAIST Asahidai 1-1 Nomi Ishikawa 923-1292 Japan

7. Center for Materials Research by Information IntegrationResearch and Services Division of Materials Data and Integrated SystemNational Institute for Materials Science Tsukuba 305-0047 Japan

8. Japan Science and Technology AgencyPRESTO 4-1-8 Honcho, Kawaguchi-shi Saitama 322-0012 Japan

9. Computational Engineering Applications UnitRIKEN 2-1 Hirosawa Wako Saitama 351-0198 Japan

10. School of Information ScienceJAIST Asahidai 1-1 Nomi Ishikawa 923-1292 Japan

Funder

Japan Society for the Promotion of Science

Publisher

Wiley

Subject

General Chemistry,Biochemistry,Organic Chemistry

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