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Title: High-pressure structural study of the scheelite tungstates CaWO{sub 4} and SrWO{sub 4}

Abstract

Angle-dispersive x-ray-diffraction and x-ray-absorption near-edge structure measurements have been performed on CaWO{sub 4} and SrWO{sub 4} up to pressures of approximately 20 GPa. Both materials display similar behavior in the range of pressures investigated in our experiments. As in the previously reported case of CaWO{sub 4}, under hydrostatic conditions SrWO{sub 4} undergoes a pressure-induced scheelite-to-fergusonite transition around 10 GPa. Our experimental results are compared to those found in the literature and are further supported by ab initio total-energy calculations, from which we also predict the instability at larger pressures of the fergusonite phases against an orthorhombic structure with space group Cmca. Finally, a linear relationship between the charge density in the AO{sub 8} polyhedra of ABO{sub 4} scheelite-related structures and their bulk modulus is discussed and used to predict the bulk modulus of other materials, like hafnon.

Authors:
; ; ;  [1];  [2]; ;  [3]; ; ; ; ;  [4];  [5]
  1. Departamento de Fisica Aplicada-ICMUV, Universitat de Valencia, Edificio de Investigacion, c/Dr. Moliner 50, 46100 Burjassot, Valencia (Spain)
  2. Departamento de Fisica Aplicada, Universitat Politecnica de Valencia, Cno. de Vera s/n, 46022 Valencia (Spain)
  3. High Pressure Science and Engineering Center, Department of Physics, University of Nevada, 4505 Maryland Parkway, Las Vegas, Nevada 89154-4002 (United States)
  4. Departamento de Fisica Fundamental II, Universidad de La Laguna, La Laguna 38205, Tenerife (Spain)
  5. European Synchrotron Radiation Facility, BP 220, Grenoble, F-38043 (France)
Publication Date:
OSTI Identifier:
20719777
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 72; Journal Issue: 17; Other Information: DOI: 10.1103/PhysRevB.72.174106; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION SPECTROSCOPY; CALCIUM TUNGSTATES; CHARGE DENSITY; ORTHORHOMBIC LATTICES; PHASE TRANSFORMATIONS; PRESSURE DEPENDENCE; PRESSURE RANGE GIGA PA; SPACE GROUPS; STRONTIUM COMPOUNDS; X RADIATION; X-RAY DIFFRACTION; X-RAY SPECTROSCOPY

Citation Formats

Errandonea, D., Pellicer-Porres, J., Segura, A., Ferrer-Roca, Ch., Manjon, F.J., Kumar, R.S., Tschauner, O., Rodriguez-Hernandez, P., Lopez-Solano, J., Radescu, S., Mujica, A., Munoz, A., and Aquilanti, G. High-pressure structural study of the scheelite tungstates CaWO{sub 4} and SrWO{sub 4}. United States: N. p., 2005. Web. doi:10.1103/PhysRevB.72.174106.
Errandonea, D., Pellicer-Porres, J., Segura, A., Ferrer-Roca, Ch., Manjon, F.J., Kumar, R.S., Tschauner, O., Rodriguez-Hernandez, P., Lopez-Solano, J., Radescu, S., Mujica, A., Munoz, A., & Aquilanti, G. High-pressure structural study of the scheelite tungstates CaWO{sub 4} and SrWO{sub 4}. United States. doi:10.1103/PhysRevB.72.174106.
Errandonea, D., Pellicer-Porres, J., Segura, A., Ferrer-Roca, Ch., Manjon, F.J., Kumar, R.S., Tschauner, O., Rodriguez-Hernandez, P., Lopez-Solano, J., Radescu, S., Mujica, A., Munoz, A., and Aquilanti, G. Tue . "High-pressure structural study of the scheelite tungstates CaWO{sub 4} and SrWO{sub 4}". United States. doi:10.1103/PhysRevB.72.174106.
@article{osti_20719777,
title = {High-pressure structural study of the scheelite tungstates CaWO{sub 4} and SrWO{sub 4}},
author = {Errandonea, D. and Pellicer-Porres, J. and Segura, A. and Ferrer-Roca, Ch. and Manjon, F.J. and Kumar, R.S. and Tschauner, O. and Rodriguez-Hernandez, P. and Lopez-Solano, J. and Radescu, S. and Mujica, A. and Munoz, A. and Aquilanti, G.},
abstractNote = {Angle-dispersive x-ray-diffraction and x-ray-absorption near-edge structure measurements have been performed on CaWO{sub 4} and SrWO{sub 4} up to pressures of approximately 20 GPa. Both materials display similar behavior in the range of pressures investigated in our experiments. As in the previously reported case of CaWO{sub 4}, under hydrostatic conditions SrWO{sub 4} undergoes a pressure-induced scheelite-to-fergusonite transition around 10 GPa. Our experimental results are compared to those found in the literature and are further supported by ab initio total-energy calculations, from which we also predict the instability at larger pressures of the fergusonite phases against an orthorhombic structure with space group Cmca. Finally, a linear relationship between the charge density in the AO{sub 8} polyhedra of ABO{sub 4} scheelite-related structures and their bulk modulus is discussed and used to predict the bulk modulus of other materials, like hafnon.},
doi = {10.1103/PhysRevB.72.174106},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 17,
volume = 72,
place = {United States},
year = {Tue Nov 01 00:00:00 EST 2005},
month = {Tue Nov 01 00:00:00 EST 2005}
}