Combined raman scattering and ab initio investigation of pressure-induced structural phase transitions in the scintillator znwo4
文献类型：期刊论文
| 作者 | Errandonea, D.1; Manjon, F. J.2; Garro, N.3; Rodriguez-Hernandez, P.4; Radescu, S.4; Mujica, A.4; Munoz, A.4; Tu, C. Y.5,6 |
| 刊名 | Physical review b
 |
| 出版日期 | 2008-08-01 |
| 卷号 | 78期号:5页码:12 |
| ISSN号 | 1098-0121 |
| DOI | 10.1103/physrevb.78.054116 |
| 通讯作者 | Errandonea, d.(daniel.errandonea@uv.es) |
| 英文摘要 | The room-temperature raman scattering was measured in znwo4 up to 45 gpa. we report the pressure dependence of all the raman-active phonons of the low-pressure wolframite phase. as pressure increases additional raman peaks appear at 30.6 gpa due to the onset of a reversible structural phase transition to a distorted monoclinic beta-fergusonite-type phase. the low-pressure and high-pressure phases coexist from 30.6 to 36.5 gpa. in addition to the raman measurements we also report ab initio total-energy and lattice-dynamics calculations for the two phases. these calculations helped us to determine the crystalline structure of the high-pressure phase and to assign the observed raman modes in both the wolframite and beta-fergusonite phases. based upon the ab initio calculations we propose the occurrence of a second phase transition at 57.6 gpa from the beta-fergusonite phase to an orthorhombic cmca phase. the pressure evolution of the lattice parameters and the atomic positions of wolframite znwo4 are also theoretically calculated, and an equation of state reported. |
| WOS关键词 | X-RAY-DIFFRACTION ; SCHEELITE-TYPE COMPOUNDS ; AUGMENTED-WAVE METHOD ; EU BINARY OXIDES ; CRYSTAL-STRUCTURE ; SINGLE-CRYSTALS ; SOLID-SOLUTION ; TUNGSTATES ; FERGUSONITE ; MOLYBDATES |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000259368200042 |
| 出版者 | AMER PHYSICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2392085 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Errandonea, D. |
| 作者单位 | 1.Univ Valencia, Fdn Gen Univ Valencia ICMUV, MALTA Consolider Team, E-46100 Valencia, Spain 2.Univ Politecn Valencia, Dept Fis Aplicada, MALTA Consolider Team, Valencia 46022, Spain 3.Univ Valencia, Fdn Gen Univ Valencia ICMUV, Paterna 46980, Spain 4.Univ La Laguna, Dept Fis Fundamental 2, MALTA Consolider Team, Tenerife 38205, Spain 5.Chinese Acad Sci, Fujian Inst Res Struct Matter, Fuzhou 350002, Fujian, Peoples R China 6.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Errandonea, D.,Manjon, F. J.,Garro, N.,et al. Combined raman scattering and ab initio investigation of pressure-induced structural phase transitions in the scintillator znwo4[J]. Physical review b,2008,78(5):12. |
| APA | Errandonea, D..,Manjon, F. J..,Garro, N..,Rodriguez-Hernandez, P..,Radescu, S..,...&Tu, C. Y..(2008).Combined raman scattering and ab initio investigation of pressure-induced structural phase transitions in the scintillator znwo4.Physical review b,78(5),12. |
| MLA | Errandonea, D.,et al."Combined raman scattering and ab initio investigation of pressure-induced structural phase transitions in the scintillator znwo4".Physical review b 78.5(2008):12. |
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