期刊
NATURE COMMUNICATIONS
卷 8, 期 -, 页码 -出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/s41467-017-01301-0
关键词
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资金
- CREST
- CONACYT
- Balliol College, Oxford
- EPSRC [EP/K021435/1]
- JSPS KAKENHI [JP16H06438, JP16H6439, JP16H6440, JP16K21724, JP16H06033]
- Grants-in-Aid for Scientific Research [16H06438, 16H06439, 16H06033, 16K21724, 16H06440] Funding Source: KAKEN
Transition-metal oxyhydrides are of considerable current interest due to the unique features of the hydride anion, most notably the absence of valence p orbitals. This feature distinguishes hydrides from all other anions, and gives rise to unprecedented properties in this new class of materials. Here we show via a high-pressure study of anion-ordered strontium vanadium oxyhydride SrVO2H that H- is extraordinarily compressible, and that pressure drives a transition from a Mott insulator to a metal at similar to 50 GPa. Density functional theory suggests that the band gap in the insulating state is reduced by pressure as a result of increased dispersion in the ab-plane due to enhanced V-d pi-O-p pi-V-d pi overlap. Remarkably, dispersion along c is limited by the orthogonal V-d pi-H-1s-V-d pi arrangement despite the greater c-axis compressibility, suggesting that the hydride anions act as pi-blockers. The wider family of oxyhydrides may therefore give access to dimensionally reduced structures with novel electronic properties.
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