Hydrostatic pressure dependence on the collapsing of heptamer clusters in the charge ordered spinel AlV₂O₄

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• 作者：S. Kalavathi^a ; ^{kala@igcar.gov.in} ; Selva Vennila Raju^b ; Sharat Chandra^c ; Quentin Williams^d ; P.Ch. Sahu^a
• 关键词：A. Charge frustration ; B. Spinel AlV2O4 ; C. Hydrostatic pressure ; D. ab-initio calculations
• 刊名：Solid State Communications
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：250
• 期：Complete
• 页码：23-27
• 全文大小：1216 K
• 卷排序：250

文摘

Charge-ordered spinel AlV2O4 becomes charge frustrated under hydrostatic pressure. Transition occurs at about 21 GPa and it is reversible on decompression. Total energy calculations confirm stability of the frustrated phase under pressure. At high temperatures V3 trimers get disrupted leading to charge frustration.