[1]
|
A. K. Ivanov-Shits and I. V. Murin “Ionika Tverdogo tela,” Izd-vo SPbGU, S.-Peterburg, 2000.
|
[2]
|
J. G. P. Binner, G. Dimitrakis, D. M. Price1, M. Reading and B. Vaidhyanathan, “Hysterisis in the Phase Transition in Silver Iodide,” Journal of Thermal Analysis and Calorimetry, Vol. 84, No. 2, 2006, pp. 409-412. doi:10.1007/s10973-005-7154-1
|
[3]
|
F. Wells, “Structural Inorganic Chemistry,” Oxford University Press, Oxford, 1984.
|
[4]
|
J. N?lting and Ber. Bunsenges, Physik. Chem., Vol. 68. No. 10, 1964, p. 932.
|
[5]
|
Kusakabe M., Shirakawa Y., Tamaki S., Ito Y, “The Transport Properties of Cations in the Superionic Phase of AgxCu1-xI,” Journal of the Physical Society of Japan, Vol. 64, No. 01, 1995, pp. 170-176.
|
[6]
|
Goldmann, “Band Structure and Optical Properties of Tetrahedrally Coordinated Cu and Ag-Halides,” Physica Status Solidi (B), Vol. 81, No 1, 1977, pp. 9-47.
|
[7]
|
W. Sekkal, A. Laref and H. Aourag, A. Zaoui and M. Certier, “The miscibility of CuxAg1?xI Using a Tersoff Potential,” Superlattice and Microstructures, Vol. 28, No. 1, 2000, pp. 55-66. doi:10.1006/spmi.1999.0782
|
[8]
|
B. Jaros?aw and R. Jaros?aw, “Cation Diffusion Coefficients in CuAgI via Molecular Dynamics Simulations,” Solid State Ionics, Vol. 157, No. 1-4, 2003, pp. 227-232. doi:10.1016/S0167-2738(02)00214-X
|
[9]
|
Zunger, S.-H. Wei, L. G. Ferreira and J. E. Bernard, “Special Quasirandom Structures,” Physical Review Letters, Vol. 65, No. 3, 1990, pp. 353-356. doi:10.1103/PhysRevLett.65.353
|
[10]
|
S. Savrasov and D. Savrasov, “Full-Potential Linear-muffin-Tin-Orbital Method for Calculating Total Energies and Forces,” Physical Review B, Vol. 46, No. 19, 1992, pp. 12181-12195. doi:10.1103/PhysRevB.46.12181
|
[11]
|
S. Y. Savrasov, “Linear-Response Theory and Lattice Dynamics: A Muffin-Tin-Orbital Approach,” Physical Review B, Vol. 54, No. 23, 1996, pp. 16470-16486. doi:10.1103/PhysRevB.54.16470
|
[12]
|
P. Hohenberg and W. Kohn, “Inhomogeneous Electron Gas,” Physical Review, Vol. 136, No. 3B, 1964, pp. B864-B871.
|
[13]
|
W. Kohn and L. J. Sham, “Self-Consistent Equations Including Exchange and Correlation Effects,” Physical Review A, Vol. 140 , No. 4A, 1965, pp. A1133-A1138. doi:10.1103/PhysRev.140.A1133
|
[14]
|
S. Y. Savrasov, “Program LMTART for electronic structure calculations,” Zeitschrift für Kristallogr, Vol. 220, 2005, pp. 555-557.
|
[15]
|
J.P. Perdew and Y. Wang, “Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy,” Physical Review A, Vol. 45, No. 13, 1992, pp. 13244-13249. doi:10.1103/PhysRevB.45.13244
|
[16]
|
J.P. Perdew, S. Burke and M. Ernzerhof, “Generalized Gradient Approximation Made Simple,” Physical Review Letters, Vol. 77, No.18, 1996, pp. 3865-3868. doi:10.1103/PhysRevLett.77.3865
|
[17]
|
P. Blochl, O. Jepsen and O. K. Andersen, “Improved Tetrahedron Method for Brillouin-Zone Integrations,” Physical Review B, Vol. 49, No. 23, 1994, pp. 16223-16233. doi:10.1103/PhysRevB.49.16223
|
[18]
|
F. D. Murnaghan, “The Compressibility of Media under Extreme Pressures,” Proceedings of the National Academy of Sciences USA, Vol. 30, 1944, pp. 244-247. doi:10.1073/pnas.30.9.244
|
[19]
|
L. Vegard, “Formation of Mixed Crystals by Solid-Phase Contact,” Zeitschrift für Phys, Vol. 5, No. 5, 1921, pp. 393-395.
|
[20]
|
B. Jobst, D. Hommel, U. Lunz, T. Gerharda and G. Landwehr, “E0 Band-Gap Energy and Lattice Constant of Ternary Zn1?xMgxSe as Functions of Composition,” Applied Physics Letters, Vol. 69, No. 1, 1996, pp. 97-100. doi:10.1063/1.118132
|
[21]
|
F. El Haj Hassan and H. Akdarzadeh, “First-Principles Investigation of BNxP1-x, BNxAs1-x and BPxAs1-x Ternary Alloys,” Materials Science and Engineering, Vol. 121, 2005, pp. 171-178.
|
[22]
|
B. Amrani, F. El Haj Hassan, R. Khenata and H. Akbarzadeh, “Theoretical Study of CuxAg1-xI Alloys,” Journal of Physics and Chemistry of Solids, Vol. 70, No. 7, 2009, pp. 1055-1061. doi:10.1016/j.jpcs.2009.05.003
|
[23]
|
S. N. Rashkeev and W. R. L. Lambrecht, “Second-Harmonic Generation of I-III-VI2 Chalcopyrite Semiconductors: Effects of Chemical Substitutions,” Physical Review B, Vol. 63, No. 16, 2001, pp. 165212-165224. doi:10.1103/PhysRevB.63.165212
|
[24]
|
G. Onida, L. Reining, and A. Rubio, “Electronic Excitations: Density-Functional versus Many-Body Green’s-Function Approaches,” Reviews of Modern Physics, Vol. 74, 2002, pp. 601-659. doi:10.1103/RevModPhys.74.601
|
[25]
|
J.E. Bernard and A. Zunger, “Optical Bowing in Zinc Chalcogenide Semiconductor Alloys,” Physical Review B, Vol. 34 , No. 8, 1986, pp. 5992-5995. doi:10.1103/PhysRevB.34.5992
|
[26]
|
H. Baaziz, Z. Charifi, F. El Haj Hassan, S. J. Hashemifar, and H. Akbarzadeh, “FP-LAPW Investigations of Zn1–xBexS, Zn1–xBexSe and Zn1–xBexTe Ternary Alloys,” Physica Status Solidi (B), Vol. 243, No. 6, 2006, pp. 1296-1305.
|
[27]
|
A. Mokhtari and H. Akbarzadeh, “Ab Initio Calculations of the Electronic and Structural Properties of Beryllium-, Magnesium- and Calcium-Nitrides,” Physica B, Vol. 337, 2003, pp. 122-129. doi:10.1016/S0921-4526(03)00387-9
|
[28]
|
A. Bouhemadou, R. Khenata, F. Zegrar, M. Sahnoun, H. Baltache and A. H. Reshak, “Ab Initio Study of Structural, Electronic, Elastic and High Pressure Properties of Barium Chalcogenides,” Computational Materials Science, Vol. 38, No. 2, 2006, pp. 263-270. doi:10.1016/j.commatsci.2006.03.001
|
[29]
|
S. Hull and D.A. Keen, “Pressure-Induced Phase Transitions in AgCl, AgBr, and AgI,” Physical Review B, Vol. 59, No. 2, 1999, pp. 750-761. doi:10.1103/PhysRevB.59.750
|
[30]
|
S. Hull and D.A. Keen, “High-Pressure Polymorphism of the Copper(I) Halides: A Neutron-Diffraction Study to ~10 GPa,” Physical Review B, Vol. 50, No. 9, 1994, pp. 5868-5885. doi:10.1103/PhysRevB.50.5868
|
[31]
|
L.A. Palomino-Rojas, M. Lo′pez-Fuentes, G. H. Cocoletzi, G. Murrieta, R. de Coss and N. Takeuchi, “Density Functional Study of the Structural Properties of Silver Halides: LDA vs GGA Calculations,” Solid State Sciences, Vol. 10, No. 9, pp. 1228-1235. doi:10.1016/j.solidstatesciences.2007.11.022
|
[32]
|
T. S?hnel, H. Hermann and P. Schwerdtfeger, “Solid State Density Functional Calculations for the Group 11 Monohalides,” Journal of Physical Chemistry B, Vol. 109, No. 1, 2005, pp. 526-531.
|
[33]
|
T. Ida, M. Mizuno, K. Endo, M. Suhara, K. Nishidate, K. Nishikawa, “Dynamical Structure of Alpha-Ag_{0.99} Cu_{0.01}I Crystal by ^{63}Cu NMR Chemical Shift, Spin-Lattice Relaxation Time and Molecular Dyanmics Simulation,” Journal of Physics and Chemistry of Solids, Vol. 63, 2002, pp. 249-256. doi:10.1016/S0022-3697(01)00137-8
|
[34]
|
B. Amrani, T. Benmessabih, M. Tahiri, I. Chiboub, S. Hiadsi and F. Hamdache, “First Principles Study of Structural, Elastic, Electronic and Optical Properties of CuCl, CuBr and CuI Compounds under Hydrostatic Pressure,” Physica B, Vol. 381, 2006, pp. 179-186. doi:10.1016/j.physb.2006.01.447
|
[35]
|
F. El Haj Hassan, A. Zaoui and W. Sekkal, “Structural Properties of Copper Halides,” Materials Science and Engineering: B, Vol. 87, 2001, pp. 40-47. doi:10.1016/S0921-5107(01)00687-0
|
[36]
|
R. C. Hanson, T. A. Fjeldly and H. D. Hochheimer, “Raman Scattering from Five Phases of Silver Iodide,” Physica Status Solidi (A), Vol. 70, No. 2, 1975, pp. 567-576. doi:10.1002/pssb.2220700216
|
[37]
|
M. Hofmann, S. Hull and D. A. Keen, “High-Pressure Phase of Copper(I) Iodide,” Physical Review B, Vol. 51, No. 17, 1995, pp. 12022-12025. doi:10.1103/PhysRevB.51.12022
|
[38]
|
G. S. Nunes, P.B. Allen, J. L. Martin, “Pressure Induced Phase Transitions in Silver Halides,” Physical Review B, Vol. 57, No. 9, 1998, pp. 5098-5105. doi:10.1103/PhysRevB.57.5098
|
[39]
|
W. Sekkal, A. Zaoui, A. Laref, M. Certier and H. Aourag, “Molecular Dynamics Simulation of CuI using a Three-Body Potential,” Journal of Physics: Condensed Matter, Vol. 12, No. 28, 2000, p. 6173. doi:10.1088/0953-8984/12/28/313
|
[40]
|
R. H. Victora, “Calculated Electronic Structure of Silver Halide Crystals,” Physical Review B, Vol. 56, No. 8, 1997, pp. 4417-4421.
|
[41]
|
V. P. Krüger and J. Pollmann, “Ab Initio Electronic Structure of Silver Halides Calculated with Self-Interaction and Relaxation-Corrected Pseudopotentials,” Physical Review B, Vol. 58, No. 7, 1998, pp. 3865-3869. doi:10.1103/PhysRevB.58.3865
|
[42]
|
M. Ferhat, A. Zaoui, M. Certier, J. P. Dufour and B. Khelifa, “Electronic Structure of the Copper Halides CuCl, CuBr and Cul,” Materials Science and Engineering, Vol. 39, 1996, pp. 95-100. doi:10.1016/0921-5107(95)01518-3
|
[43]
|
Zakharov, A. Rubio, X. Blase, M. L. Cohen and S. G. Louie, “Quasiparticle Band Structures of Six II-VI Compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe,” Physical Review B, Vol. 50, No. 15, 1994, pp. 10780-10787. doi:10.1103/PhysRevB.50.10780
|