Hydrogen ordering and new polymorph of layered perovskite oxyhydrides: Sr2VO4- xHx

Journal of the American Chemical Society

Volumn 136, Issue 20, 2014, Pages 7221-7224

  Bang, Joonho ^a   Matsuishi, Satoru ^b   Hiraka, Haruhiro ^d   Fujisaki, Fumika ^e   Otomo, Toshiya ^d,e   Maki, Sachiko ^a   Yamaura, Jun Ichi ^b   Kumai, Reiji ^d,e   Murakami, Youichi ^d,e   Hosono, Hideo ^a,b,c  

^a Materials and Structures Laboratory   (Japan)

^b Materials Research Center for Element Strategy   (Japan)

^c TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^d INSTITUTE OF MATERIALS STRUCTURE SCIENCE   (Japan)

^e GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; NEGATIVE IONS; SOLID STATE REACTIONS; THERMAL DESORPTION SPECTROSCOPY; VANADIUM; X RAY DIFFRACTION;

BONDING INTERACTIONS; DFT CALCULATION; FIRST PRINCIPLES DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; LAYERED PEROVSKITE; ORTHORHOMBIC PHASE; POWDER NEUTRON DIFFRACTION; SYNCHROTRON X RAY DIFFRACTION; TETRAGONAL PHASE;

HYDROGEN;

ANION; HYDROGEN; OXYGEN; PEROVSKITE; VANADIUM;

ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; NEUTRON DIFFRACTION; SOLID STATE REACTION; SPECTROSCOPY; SYNTHESIS; THERMAL DESORPTION SPECTROSCOPY; X RAY DIFFRACTION;

EID: 84901049656     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja502277r     Document Type: Article

References (22)

1. Imada, M.; Fujimori, A.; Tokura, Y. Rev. Mod. Phys. 1998, 70, 1039
2. Hayward, M. A.; Cussen, E. J.; Claridge, J. B.; Bieringer, M.; Rosseinsky, M. J.; Kiely, C. J.; Blundell, S. J.; Marshall, I. M.; Pratt, F. L. Science 2002, 295, 1882
3. Hayashi, K.; Sushko, P. V.; Hashimoto, Y.; Shluger, A. L.; Hosono, H. Nat. Commun. 2014, 5, 3515
4. Poeppelmeier, K. Science 2002, 295, 1849
5. Helps, R. M.; Rees, N. H.; Hayward, M. A. Inorg. Chem. 2010, 49, 11062
6. Sakaguchi, T.; Kobayashi, Y.; Yajima, T.; Ohkura, M.; Tassel, C.; Takeiri, F.; Mitsuoka, S.; Ohkubo, H.; Yamamoto, T.; Kim, J.; Tsuji, N.; Fujihara, A.; Matsushita, Y.; Hester, J.; Avdeev, M.; Ohoyama, K.; Kageyama, H. Inorg. Chem. 2012, 51, 11371
7. Kobayashi, Y.; Hernandez, O. J.; Sakaguchi, T.; Yajima, T.; Roisnel, T.; Tsujimoto, Y.; Morita, M.; Noda, Y.; Mogami, Y.; Kitada, A.; Ohkura, M.; Hosokawa, S.; Li, Z.; Hayashi, K.; Kusano, Y.; Kim, J.; Tsuji, N.; Fujiwara, A.; Matsushita, Y.; Yoshimura, K.; Takegoshi, K.; Inoue, M.; Takano, M.; Kageyama, H. Nat. Mater. 2012, 11, 507
8. Hiraishi, M.; Iimura, S.; Kojima, K. M.; Yamaura, J.; Hiraka, H.; Ikeda, K.; Miao, P.; Ishikawa, Y.; Torii, S.; Miyazaki, M.; Yamauchi, I.; Koda, A.; Ishii, K.; Yoshida, M.; Mizuki, J.; Kadono, R.; Kumai, R.; Kamiyama, T.; Otomo, T.; Murakami, Y.; Matsuishi, S.; Hosono, H. Nat. Phys. 2014, 10, 300
9. Iimura, S.; Matsuishi, S.; Sato, H.; Hanna, T.; Muraba, Y.; Kim, S. W.; Kim, J. E.; Takata, M.; Hosono, H. Nat. Commun. 2012, 3, 943
10. Cyrot, M.; Lambert-Andron, B.; Soubeyroux, J. L.; Rey, M. J.; Dehauht, P.; Cyrot-Lackmann, F.; Fourcaudot, G.; Beille, J.; Tholence, J. L. J. Solid State Chem. 1990, 85, 321
11. Rey, M. J.; Dehaudt, P.; Joubert, J. C.; Lambert-Andron, B.; Cyrot, M.; Cyrot-Lackmann, F. J. Solid State Chem. 1990, 86, 101-108
12. Zhou, H.; Conner, B.; Balicas, L.; Wiebe, C. Phys. Rev. Lett. 2007, 99, 136403
13. Fukai, Y.; Okuma, N. Phys. Rev. Lett. 1994, 73, 1640
14. Fukai, Y.; Okuma, N. Jpn. J. Appl. Phys. 1993, 32, L1256
15. TOPAS; Bruker AXS GmbH: Karlsruhe, Germany, 2009.
16. Larson, A. C.; Von Dreele, R. B. Los Alamos Natl. Lab., Rep. 2000, 86
17. Toby, B. H. J. Appl. Crystallogr. 2001, 34, 210
18. Izumi, F.; Momma, K. Solid State Phenom. 2007, 130, 15
19. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
20. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1997, 78, 1396
21. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953
22. Kresse, G. Phys. Rev. B 1996, 54, 11169