High-pressure synthesis of the BiVO3 perovskite
High-pressure synthesis of the BiVO3 perovskite
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DOI：
10.1103/physrevmaterials.3.064411
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发表时间：
2019-06
影响因子：
3.4
通讯作者：
R. A. Klein;A. Altman;R. Saballos;J. P. Walsh;A. Tamerius;Y. Meng;D. Puggioni;S. Jacobsen;J. Ron
中科院分区：
文献类型：
--
作者：
R. A. Klein;A. Altman;R. Saballos;J. P. Walsh;A. Tamerius;Y. Meng;D. Puggioni;S. Jacobsen;J. Ron
我们报告的高压，高温合成的BiVO 3，立方钙钛矿，到目前为止，仍然无法在环境压力条件下。我们在激光加热的金刚石砧室中在25GPa和1500 K下创建了这种材料，并将其恢复到环境压力和温度。我们的合成方法避免了氧化化学，在环境压力下，以前使立方BiVO 3钙钛矿不可接近。我们通过密度泛函理论计算发现，这种材料是一种独特的金属反铁磁过渡金属氧化物。
We report the high-pressure, high-temperature synthesis of BiVO 3 , a cubic perovskite that thus far has remained inaccessible under ambient pressure conditions. We created this material at ∼ 25 GPa and 1500 K in a laser-heated diamond-anvil cell and recovered it to ambient pressure and temperature. Our synthetic approach circumvents the oxidative chemistry that, at ambient pressures, previously rendered the cubic BiVO 3 perovskite inaccessible. We find through density-functional theory calculations that this material is a unique metallic and antiferromagnetic transition-metal oxide.