Phase behavior of Ag2CrO4 under compression: Structural, vibrational, and optical properties

Journal of Physical Chemistry C

Volumn 117, Issue 23, 2013, Pages 12239-12248

  Santamaría Pérez, David ^a,b   Bandiello, Enrico ^a   Errandonea, Daniel ^a   Ruiz Fuertes, Javier ^a,c   Gomis, Oscar ^d   Sans, Juan Angel ^d   Manjón, Francisco Javier ^d   Rodríguez Hernández, Plácida ^e   Muñoz, Alfonso ^e  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c HARVARD UNIVERSITY   (United States)

^d UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

^e UNIVERSIDAD DE LA LAGUNA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC BAND GAPS; EXPERIMENTAL STUDIES; FIRST-PRINCIPLES CALCULATION; ISO-STRUCTURAL TRANSITION; KINETIC BARRIER; RAMAN-ACTIVE PHONON; SILVER CHROMATES; SPINEL-TYPE STRUCTURES;

CALCULATIONS; CHROMATES; CRYSTAL LATTICES; EXPERIMENTS; OPTICAL PROPERTIES; SOLIDS;

SILVER;

EID: 84879093045     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp401524s     Document Type: Article

References (63)

1. Colour Index, 3 rd ed.; Society of Dyers and Colourists: Bradford, England, 1971.
2. Ramon y Cajal, S., Ed.; Histologie du Système Nerveux de l'Homme et des Vertébrés; A. Maloine: Paris, 1909-1911.
3. Robbins, D. J.; Day, P. Why is Silver Chromate Red? Polarized Electronic Spectrum of Chromate in Silver Sulfate Mol. Phys. 1977, 34, 893-898
4. Clark, R. J. H.; Dines, T. J. Raman, Resonance Raman, and Infrared Spectroscopy Study of Silver(I) Chromate Inorg. Chem. 1982, 21, 3585-3588
5. Hackert, M. L.; Jacobson, R. A. The Crystal Structure of Silver Chromate J. Solid State Chem. 1971, 3, 364-368
6. 4 Z. Anorg. Allg. Chem. 1983, 507, 59-65
7. Birle, J. D.; Gibbs, G. V.; Moore, P. B.; Smith, J. V. Crystal Structures of Natural Olivines Am. Mineral. 1968, 53, 807-824
8. 4: Insights on the Origin of Olivine Elastic Anisotropy Phys. Chem. Miner. 1987, 14, 13-20
9. 4 Z. Kristallogr. 1931, 80, 164-173
10. 4 Z. Kristallogr. 1941, 103, 90-95
11. 4 Z. Kristallogr. 1938, 99, 32-37
12. 4 Spectrosc. Lett. 1972, 5, 401-406
13. Natarajan, M.; Secco, E. A. Phase Transformation Studies in Silver and Thallium Chromates Can. J. Chem. 1974, 52, 712-717
14. Cieslak-Golonka, M. Thermal Decomposition and Spectroscopic Properties of Silver Chromate J. Therm. Anal. 1992, 38, 2501-2513
15. Pistorius, C. W. F. T.; Boeyens, J. C. A. Crystallographic Aspects of the Polymorphism of Silver Chromate and Selenate at High Pressures and Temperatures Z. Kristallogr. 1970, 372, 263-267
16. Pistorius, C. W. F. T. Phase Diagrams of Silver Sulfate, Silver Selenate and Silver Chromate to 40 kbar J. Chem. Phys. 1967, 46, 2167-2171
17. Vegas, A.; Jansen, M. Structural Relationships between Cations and Alloys: An Equivalence between Oxidation and Pressure Acta Crystallogr., Sect. B 2002, 58, 38-51
18. Santamaria-Perez, D.; Gracia, L.; Garbarino, G.; Beltran, A.; Chulia-Jordan, R.; Gomis, O.; Errandonea, D.; Ferrer-Roca, C.; Martinez-Garcia, D.; Segura, A. High-Pressure Study of the Behavior of Mineral Barite by X-ray Diffraction Phys. Rev. B 2011, 84, 054102
19. 4: A Structural Study High Pressure Res. 2012, 32, 81-88
20. 4 Hashemite Phys. Rev. B 2012, 86, 094116
21. 2S at high Pressures J. Solid State Chem. 2000, 154, 603-611
22. 4 Acta Crystallogr., Sect. B 2001, 57, 151-156
23. 2S at High Pressures Solid State Sci. 2002, 4, 1077-1081
24. 2In-Type Phase Transitions Acta Crystallogr., Sect. B 2011, 67, 109-115
25. 2S J. Chem. Phys. 2011, 135, 054511
26. Santamaria-Perez, D.; Marques, M.; Chulia-Jordan, R.; Menendez, J. M.; Gomis, O.; Ruiz-Fuertes, J.; Sans, J. A.; Errandonea, D.; Recio, J. M. Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations Inorg. Chem. 2012, 51, 5289-5298
27. Santamaria-Perez, D.; Morales-Garcia, A.; Martinez-Garcia, D.; Garcia-Domene, B.; Muhle, C.; Jansen, M. Structural Phase Transitions on AgCuS Stromeyerite under Compression Inorg. Chem. 2013, 52, 355-361
28. Knapp, M.; Peral, I.; Nikitina, M.; Quispe, M.; Ferrer, S. Technical Concept of the Materials Science Beamline at ALBA Z. Kristallogr. Proc. 2011, 1, 137-142
29. Hammersley, A. P.; Svensson, S. O.; Hanfland, M.; Fitch, A. N.; Hausermann, D. Two-Dimensional Detector Software: From Real Detector to Idealised Image or Two-Theta Scan High Pressure Res. 1996, 14, 235-248
30. Mao, H. K.; Xu, J.; Bell, P. M. Calibration of the Ruby Pressure Gauge to 800-kbar under Quasi-Hydrostatic Conditions J. Geophys. Res. (Solid Earth Planets) 1986, 91, 4673-4676
31. Akahama, Y.; Kawamura, H.; Singh, A. K. A Comparison of Volume Compressions of Silver and Gold up to 150 GPa J. Appl. Phys. 2004, 95, 4767-4771
32. Dewaele, A.; Loubeyre, P.; Mezouar, M. Equations of State of Six Metals above 94 GPa Phys. Rev. B 2004, 70, 094112
33. Rodriguez-Carvajal, J. Recent Advances in Magnetic Structure Determination by Neutron Powder Diffraction Physica B 1993, 192, 55-69
34. Nolze, G.; Kraus, W. PowderCell 2.0 for Windows Powder Diffr. 1998, 13, 256-259
35. 4 J. Phys. Chem. C 2008, 112, 3134-3141
36. Errandonea, D. The Melting Curve of Ten Metals up to 12 GPa and 1600 K J. Appl. Phys. 2010, 108, 033517
37. Lacomba-Perales, R.; Errandonea, D.; Segura, A.; Ruiz-Fuertes, J.; Rodriguez-Hernandez, P.; Radescu, S.; Lopez-Solano, J.; Mujica, A.; Muñoz, A. A Combined High-Pressure Experimental and Theoretical Study of the Electronic Band-Structure of Scheelite-Type AWO4 (A = Ca, Sr, Ba, Pb) Compounds J. Appl. Phys. 2011, 110, 043703
38. Panchal, V.; Errandonea, D.; Segura, A.; Rodriguez-Hernandez, P.; Muñoz, A.; Lopez-Moreno, S.; Bettinelli, M. The Electronic Structure of Zircon-Type Orthovanadates: Effects of High-Pressure and Cation Substitution J. Appl. Phys. 2011, 110, 043723
39. 4 Crystals Appl. Phys. Lett. 2006, 89, 091913
40. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
41. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
42. Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
43. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
44. Mujica, A.; Rubio, A.; Muñoz, A. High-Pressure Phases of Group-IV, III-V, and II-VI Compounds Rev. Mod. Phys. 2003, 75, 863-912
45. Parlinski, K.; Li, Z. Q.; Kawazoe, Y. First-Principle Determination of the Soft Mode in Cubic ZrO2 Phys. Rev. Lett. 1997, 78, 4063-4066
46. 4 Olivines Phys. Chem. Miner. 1998, 25, 308-312
47. 4 Compounds J. Phys. Chem. Solids 1999, 60, 529-538
48. Klotz, S.; Chervin, J. C.; Munsch, P.; Le Marchand, G. Hydrostatic Limits of 11 Pressure Transmitting Media J. Phys. D: Appl. Phys. 2009, 42, 075413
49. Kroumova, E.; Arroyo, M. I.; Perez-Mato, J. M.; Kirov, A.; Capillas, C.; Ivantchev, S.; Wondratschek, H. Bilbao Crystallographic Server: Useful Databases and Tools for Phase Transition Studies Phase Transitions 2003, 76, 155-170
50. 4 Spectr. Acta 1971, 27A, 569-580
51. 4 to 50 GPa Using Raman Spectroscopy Measurements J. Solid State Chem. 2004, 177, 4672-4679
52. 4 Phys. Rev. B 2012, 85, 024108
53. Lacomba-Perales, R.; Ruiz-Fuertes, J.; Errandonea, D.; Martinez-Garcia, D.; Segura, A. Optical Absorption of Divalent Metal Tungstates: Correlation between the Band-Gap Energy and the Cation Ionic Radius Eur. Phys. Lett. 2008, 83, 37002
54. Fahy, S.; Chang, K. J.; Louie, S. G.; Cohen, M. L. Pressure Coefficient of Band-Gaps in Diamond Phys. Rev. B 1987, 35, 5856-5859
55. 4(V) Acta Chem. Scand. 1973, 27, 814-822
56. Becka, L. N.; Poljak, R. J. An. Asoc. Quim. Argent. 1958, 46, 204
57. 4: An Ab Initio Molecular Dynamics Study Am. Mineral. 1997, 82, 913-922
58. 4: Single-Crystal X-ray Diffraction Study Am. Mineral. 1981, 66, 568-575
59. Wyckoff, R. W. G. The Crystal Structure of Silver Molybdate J. Am. Chem. Soc. 1922, 44, 1994-1998
60. 4 J. Appl. Crystallogr. 1982, 15, 114-116
61. Skarstad, P. M.; Geller, S. (W4O16)8-Polianion in the High Temperature Modification of Silver Tungstate Mater. Res. Bull. 1975, 10, 791-799
62. 4 Z. Kristallogr. 1936, 94, 131-136
63. 3 Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 14026-14029