High-pressure structural phase transitions in CuWO4

被引：62

作者：

Ruiz-Fuertes, J. ^{[1
]}

Errandonea, D. ^{[1
,2
]}

Lacomba-Perales, R. ^{[1
]}

Segura, A. ^{[1
]}

González, J. ^{[3
,4
]}

Rodríguez, F. ^{[3
]}

Manjón, F. J. ^{[5
]}

Ray, S. ^{[5
]}

Rodríguez-Hernández, P. ^{[6
]}

Muñoz, A. ^{[6
]}

Zhu, Zh. ^{[7
]}

Tu, C. Y. ^{[7
]}

机构：

[1] Univ Valencia, Dept Fisica Aplicada ICMUV, E-46100 Burjassot, Spain

[2] Fdn Gen Univ Valencia, E-46100 Burjassot, Spain

[3] Univ Cantabria, DCITIMAC, E-39005 Santander, Spain

[4] ULA, Ctr Estudios Semiconductores, Merida 5201, Venezuela

[5] Univ Politecn Valencia, Inst Diseno Fabricac & Prod Automatizada, E-46022 Valencia, Spain

[6] Univ Laguna, Inst Mat & Nanotech, Dept Fisica Fundamental II, E-38205 San Cristobal la Laguna, Tenerife, Spain

[7] Chinese Acad Sci, Fujian Inst Res Struct Matter, Fuzhou, Fujian, Peoples R China

来源：

PHYSICAL REVIEW B | 2010年 / 81卷 / 22期

关键词：

INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; X-RAY-DIFFRACTION; SOLID-SOLUTION; BASIS-SET; CRYSTALS; METALS; CUMOO4;

D O I：

10.1103/PhysRevB.81.224115

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments up to 27 GPa as well as ab initio total-energy and lattice-dynamics calculations. Experiments provide evidence that a structural phase transition takes place at 10 GPa from the low-pressure triclinic phase P1 to a monoclinic wolframite-type structure P2/c. Calculations confirmed this finding and indicate that the phase transformation involves a change in the magnetic order. In addition, the equation of state for the triclinic phase is determined: V-0=132.8(2) angstrom(3), B-0=139(6) GPa, and B-0(1)=4. Furthermore, experiments under different stress conditions show that nonhydrostatic stresses induce a second phase transition at 17 GPa and reduce the compressibility of CuWO4, B-0=171(6) GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.

引用

页数：10

共 50 条

[21] High-pressure phase transitions in adamantane
Vijayakumar, V
Garg, AB
Godwal, BK
Sikka, SK
CHEMICAL PHYSICS LETTERS, 2000, 330 (3-4) : 275 - 280
[22] DIELECTRIC STUDIES OF CUWO4 CRYSTALS
ARORA, SK
MATHEW, T
PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1989, 116 (01): : 405 - 413
[23] Structural evolution, growth mechanism and photoluminescence properties of CuWO4 nanocrystals
Souza, E. L. S.
Sczancoski, J. C.
Nogueira, I. C.
Almeida, M. A. P.
Orlandi, M. O.
Li, M. S.
Luz, R. A. S.
Filho, M. G. R.
Longo, E.
Cavalcante, L. S.
ULTRASONICS SONOCHEMISTRY, 2017, 38 : 256 - 270
[24] PRESSURE-INDUCED STRUCTURAL PHASE-TRANSITIONS IN ZIRCONIA UNDER HIGH-PRESSURE
LEGER, JM
TOMASZEWSKI, PE
ATOUF, A
PEREIRA, AS
PHYSICAL REVIEW B, 1993, 47 (21): : 14075 - 14083
[25] High-pressure phase transitions of ScPO4 and YPO4
Zhang, F. X.
Wang, J. W.
Lang, M.
Zhang, J. M.
Ewing, R. C.
Boatner, L. A.
PHYSICAL REVIEW B, 2009, 80 (18)
[26] Multiferroic CuWO4 under pressure: Comparison of PXRD and SXRD studies
Ruiz-Fuertes, J.
Friedrich, A.
Errandonea, D.
Segura, A.
Morgenroth, W.
Lacomba-Perales, R.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2011, 67 : C99 - C99
[27] High-pressure structural phase transitions, electronic propertie and intermediate states of CaSe
Kurkcu, Cihan
CANADIAN JOURNAL OF PHYSICS, 2019, 97 (07) : 797 - 802
[28] Theory of the high-pressure structural phase transitions in Si, Ge, Sn, and Pb
Katzke, H
Bismayer, U
Tolédano, P
PHYSICAL REVIEW B, 2006, 73 (13)
[29] Structural phase transitions in highly compressed substances and the synthesis of high-pressure phases
Popova, S. V.
Brazhkin, V. V.
Dyuzheva, T. I.
PHYSICS-USPEKHI, 2008, 51 (10) : 1064 - 1066
[30] Preparation of h-WO3/CuWO4 microsphere and single crystalline CuWO4 nanoparticles and their electrocatalytic activity
Kannan, S.
Balasubramanian, V.
Mohanraj, K.
Sivakumar, G.
VACUUM, 2021, 191

← 1 2 3 4 5 →