High-pressure studies of Bi2S3

Journal of Physical Chemistry A

Volumn 118, Issue 9, 2014, Pages 1713-1720

  Efthimiopoulos, Ilias ^a   Kemichick, Jason ^a   Zhou, X ^b   Khare, Sanjay V ^c   Ikuta, Daijo ^d   Wang, Yuejian ^a  

^a OAKLAND UNIVERSITY   (United States)

^b Bldg 142   (United States)

^c UNIVERSITY OF TOLEDO   (United States)

^d CARNEGIE INSTITUTION OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE SYMMETRY; ISO-STRUCTURAL TRANSITION; RAMAN SPECTROSCOPIC; STRUCTURAL DISORDERS; STRUCTURAL PARAMETER; STRUCTURAL TRANSITIONS; TOPOLOGICAL MODIFICATION; VIBRATIONAL PROPERTIES;

PHYSICAL CHEMISTRY; PHYSICS;

ELECTRONIC STRUCTURE;

EID: 84897731951     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp4124666     Document Type: Article

References (58)

1. 3 Solid State Sci. 2012, 14, 241-249
2. Filip, M. R.; Patrick, C. E.; Giustino, F. GW Quasiparticle Band Structures of Stibnite, Antimonselite, Bismuthinite, and Guanajuatite Phys. Rev. B 2013, 87, 205125
3. 3 Nanocrystalline Photodetectors Nano Lett. 2008, 8, 4002-4006
4. 3 Film Using a Solution-Gas Interface Technique Thin Solid Films 1983, 110, 165-170
5. Zhu, L.; Wang, H.; Wang, Y.; Lv, J.; Ma, Y.; Cui, Q.; Zou, G. Substitutional Alloy of Bi and Te at High Pressure Phys. Rev. Lett. 2011, 106, 145501
6. 3 J. Phys.: Condens. Matter 2013, 25, 125602
7. 3 Science 2009, 325, 178-181
8. 3 with a Single Dirac Cone on the Surface Nat. Phys. 2009, 5, 438-442
9. Ovsyannikov, S. V; Shchennikov, V. V. High-Pressure Routes in the Thermoelectricity or How One Can Improve a Performance of Thermoelectrics Chem. Mater. 2010, 22, 635-647
10. 3 Topological Compound as Function of Pressure J. Appl. Phys. 2012, 111, 112630
11. 3 to a Bcc Structure Phys. Rev. B 2011, 83, 92102
12. Liu, G. T.; Zhu, L.; Ma, Y. M.; Lin, C. L.; Liu, J. Stabilization of 9/10-Fold Structure in Bismuth Selenide at High Pressures J. Phys. Chem. C 2013, 117, 10045-10050
13. 3 J. Phys.: Condens. Matter 2012, 24, 35602
14. 3 Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 24-28
15. 3 between 0 and 10 GPa Phys. Chem. Miner. 2005, 32, 578-584
16. 3 J. Solid State Chem. 2010, 183, 2133-2143
17. Winkler, B.; Milman, V.; Lee, M.-H. Pressure-Induced Change of the Stereochemical Activity of a Lone Electron Pair J. Chem. Phys. 1998, 108, 5506-5509
18. Walsh, A.; Watson, G. W. Influence of the Anion on Lone Pair Formation in Sn(II) Monochalcogenides: A DFT Study J. Phys. Chem. B 2005, 109, 18868-18875
19. 3 under Pressure Sci. Rep. 2013, 3, 2665
20. 3 Phys. Status Solidi B 2013, 250, 669-676
21. Mao, H. K.; Xu, J.; Bell, P. M. Calibration of the Ruby Pressure Gauge to 800 kbar under Quasi-hydrostatic Conditions J. Geophys. Res. 1986, 91, 4673-4676
22. Hammersley, A.; Svensson, S.; Hanfland, M.; Fitch, A.; Hausermann, D. Two-dimensional Detector Software: From Real Detector to Idealised Image or Two-theta Scan High Pressure Res. 1996, 14, 235-248
23. Toby, B. H. EXPGUI, a Graphical User Interface for GSAS J. Appl. Crystallogr. 2001, 34, 210-213
24. Von Dreele, R. B.; Larson, A. C. Los Alamos National Laboratory Report No. LAUR 86-748, 1994.
25. Birch, F. Finite Elastic Strain of Cubic Crystals Phys. Rev. 1947, 71, 809
26. Rivers, M.; Prakapenka, V. B.; Kubo, A.; Pullins, C.; Jacobsen, C. M. H. S. D. The COMPRES/GSECARS Gas-Loading System for Diamond Anvil Cells at the Advanced Photon Source High Press. Res. 2008, 28, 273-292
27. Kresse, G. Ab Initio Molekular Dynamik Fur Flussige Metalle. Thesis, Vienna University of Technology, 1993.
28. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
29. Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558
30. Kohn, W.; Sham, L. J. Quantum Density Oscillations in an Inhomogeneous Electron Gas Phys. Rev. 1965, 137, A1697
31. Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas Phys. Rev. 1964, 136, B864
32. Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892
33. Kresse, G.; Hafner, J. Norm-Conserving and Ultrasoft Pseudopotentials for First-Row and Transition Elements J. Phys:. Condens. Matter 1994, 6, 8245-8257
34. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188
35. Zhou, X.; Roehl, J. L.; Lind, C.; Khare, S. V. Study of B1 (NaCl-Type) to B2 (CsCl-Type) Pressure-Induced Structural Phase Transition in BaS, BaSe and BaTe Using Ab Initio Computations J. Phys.: Condens. Matter 2013, 25, 075401
36. Zunic, T. B.; Vickovic, I. IVTON-A Program for the Calculation of Geometrical Aspects of Crystal Structures and Some Crystal Chemical Applications J. Appl. Crystallogr. 1996, 29, 305
37. 3 between 0 and 10 GPa Phys. Chem. Miner. 2003, 30, 463-468
38. Iwasaki, H.; Kikegawa, T. Structural Systematics of the High-Pressure Phases of Phosphorus, Arsenic, Antimony and Bismuth Acta Crystallogr. Sect. B 1997, 53, 353-357
39. Olijnyk, H.; Nakano, S.; Takemura, K. First- and Second-Order Raman Scattering in Sb and Bi at High Pressure Phys. Status Solidi 2007, 244, 3572-3582
40. Akahama, Y.; Kawamura, H.; Singh, A. K. Equation of State of Bismuth to 222 GPa and Comparison of Gold and Platinum Pressure Scales to 145 GPa J. Appl. Phys. 2002, 92, 5892
41. Gerward, L.; Morup, S.; Topsoe, H. Particle Size and Strain Broadening in Energy-Dispersive X-ray Powder Patterns J. Appl. Phys. 1976, 47, 822
42. Sharma, S. M.; Sikka, S. K. Pressure Induced Amorphization of Materials Progr. Mater. Sci. 1996, 40, 1-77
43. 3 Inorg. Chem. 2011, 50, 11291-11293
44. 3 J. Phys.: Condens. Matter 2012, 24, 475403
45. Stampfl, C.; Mannstadt, W.; Asahi, R.; Freeman, A. J. Electronic Structure and Physical Properties of Early Transition Metal Mononitrides: Density-Functional Theory LDA, GGA, and Screened-Exchange LDA FLAPW Calculations Phys. Rev. B 2001, 63, 155106
46. 3 Phys. Rev. B 2011, 84, 104112
47. 3 under High Pressure Phys. Rev. B 2011, 84, 184110
48. 3 at High Pressures Phys. Rev. B 2011, 84, 174305
49. 3 Nanostructures: Raman Scattering and First-Principles Studies Phys. Rev. B 2011, 84, 205330
50. Kharbish, S.; Libowitzky, E.; Beran, A. Raman Spectra of Isolated and Interconnected Pyramidal XS3 Groups (X = Sb,Bi) in Stibnite, Bismuthinite, Kermesite, Stephanite and Bournonite Eur. J. Miner. 2009, 21, 325-333
51. Trentelman, K. A Note on the Characterization of Bismuth Black by Raman Microspectroscopy J. Raman Spectrosc. 2009, 40, 585
52. 3 under Hydrostatic Pressure: Observation of a Pressure-Induced Amorphization Solid State Commun. 2000, 113, 125
53. 3 Physica B 2012, 407, 3781
54. Degtyareva, O.; Hernandez, E. R.; Serrano, J.; Somayazulu, M.; Mao, H.-K.; Gregoryanz, E.; Hemley, R. J. Vibrational Dynamics and Stability of the High-Pressure Chain and Ring Phases in S and Se J. Chem. Phys. 2007, 126, 84503
55. 3: Synthesis and Single Crystal Structure Investigations Z. Naturforsch., B: Chem. Sci. 1996, 51, 733
56. 3 Phys. Rev. Lett. 2013, 110, 107401
57. 3: An Electronic Structure Study Phys. Rev. B 2006, 74, 205113
58. 3 New J. Phys. 2010, 12, 65013