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利用高温固相反应法制备了纯相的HoVO4，并在0–21.25 GPa压强范围内测定了HoVO4的拉曼光谱. 通过分析其拉曼峰的频移和劈裂变化情况，发现HoVO4在9.3 GPa发生相变. 根据第一性原理选取并优化相似体系的高压晶体结构，将其与HoVO4的常压锆石矿型I41/amd结构进行了能量比较，确认HoVO4 相变结构为白钨矿型结构（I41/a）. 研究结果表明，HoVO4具有ScVO4和YVO4体系的从锆石矿型结构（I41/amd）至白钨矿型结构的相变过程. 分析对应结构相的体积随压强的变化，发现体积坍塌对该相变起重要作用. 上述研究结果有助于了解HoVO4的高压结构以及该材料在高压特殊条件下的应用.
[1] Shafi S P, Kotyk M W, Cranswick L M D 2009 Inorg. Chem. 48 10553
[2] Mullica D F, Sappenifield E L, Abraham M M, Boatner L A 1996 Inorg. Chim. Acta 248 85
[3] Errandonea D, Lacomba-Perales R, Ruiz-Fuertes J, Segura A, Achary S N, Tyagi A K 2009 Phys. Rev. B 79 184104
[4] Manjon F J, Rodriguez-Hernandez P, Munoz A, Romero A H, Errandonea D, Syassen K 2010 Phys. Rev. B 81 075202
[5] Zhang C C, Zhang Z M, Dai R C, Wang Z P 2010 J. Phys. Chem. C 114 18279
[6] Panchal V, Errandonea D, Segura A, Rodriguez-Hernandez P, Munoz A, Lopez-Moreno S, Bettinelli M 2011 J. Appl. Phys. 110 043723
[7] Ruiz-Fuertes J, Lopez-Moreno S, Errandonea D, Pellicer-Porres J 2010 J. Appl. Phys. 107 083506
[8] Bandiello E, Errandonea D, Martinez-Garcia D, Santamaria-Perez D, Manjon F J 2012 Phys. Rev. B 85 024108
[9] Errandonea D 2005 Phys. Status Solidi B 242 R125
[10] Au C T, Zhang W D 1997 J. Chem. Soc., Faraday Trans. 93 1195
[11] Santos C C, Silva E N, Ayala A P, Guedes I 2007 J. Appl. Phys. 101 053511
[12] Panchal V, Manjon F J, Errandonea D, Rodriguez-Hernandez P, Lopez-Solano J 2011 Phys. Rev. B 83 064111
[13] Kresse G, Furthmller J 1996 Phys. Rev. B 54 11169
[14] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[15] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[16] Lopez-Moreno S, Errandonea D 2012 Phys. Rev. B 86 104112
[17] Duclos S J, Jayaraman A, Espinosa G P, Cooper A S, Maines G R 1989 J. Phys. Chem. Solids 50 769
[18] Harley R T, Hayes W, Smith S R P 1971 Solid State Commun. 9 515
-
[1] Shafi S P, Kotyk M W, Cranswick L M D 2009 Inorg. Chem. 48 10553
[2] Mullica D F, Sappenifield E L, Abraham M M, Boatner L A 1996 Inorg. Chim. Acta 248 85
[3] Errandonea D, Lacomba-Perales R, Ruiz-Fuertes J, Segura A, Achary S N, Tyagi A K 2009 Phys. Rev. B 79 184104
[4] Manjon F J, Rodriguez-Hernandez P, Munoz A, Romero A H, Errandonea D, Syassen K 2010 Phys. Rev. B 81 075202
[5] Zhang C C, Zhang Z M, Dai R C, Wang Z P 2010 J. Phys. Chem. C 114 18279
[6] Panchal V, Errandonea D, Segura A, Rodriguez-Hernandez P, Munoz A, Lopez-Moreno S, Bettinelli M 2011 J. Appl. Phys. 110 043723
[7] Ruiz-Fuertes J, Lopez-Moreno S, Errandonea D, Pellicer-Porres J 2010 J. Appl. Phys. 107 083506
[8] Bandiello E, Errandonea D, Martinez-Garcia D, Santamaria-Perez D, Manjon F J 2012 Phys. Rev. B 85 024108
[9] Errandonea D 2005 Phys. Status Solidi B 242 R125
[10] Au C T, Zhang W D 1997 J. Chem. Soc., Faraday Trans. 93 1195
[11] Santos C C, Silva E N, Ayala A P, Guedes I 2007 J. Appl. Phys. 101 053511
[12] Panchal V, Manjon F J, Errandonea D, Rodriguez-Hernandez P, Lopez-Solano J 2011 Phys. Rev. B 83 064111
[13] Kresse G, Furthmller J 1996 Phys. Rev. B 54 11169
[14] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[15] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[16] Lopez-Moreno S, Errandonea D 2012 Phys. Rev. B 86 104112
[17] Duclos S J, Jayaraman A, Espinosa G P, Cooper A S, Maines G R 1989 J. Phys. Chem. Solids 50 769
[18] Harley R T, Hayes W, Smith S R P 1971 Solid State Commun. 9 515
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