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Original Articles

Lattice dynamics of ionic and covalent crystals

Pages 1-44 | Published online: 27 Sep 2006

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Dinesh Chandra Gupta & Ashok Kumar Baraiya. (2010) Thermal and elastic properties of thorium pnictides under high pressure. Phase Transitions 83:6, pages 404-418.
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R. Ruberto, G. Pastore & M.P. Tosi. (2008) Structural transitions in interionic force models of liquid AlCl3 . Physics and Chemistry of Liquids 46:5, pages 548-563.
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E Goat, R Ruberto, G Pastore, Z Akdeniz & MP Tosi. (2007) From molecular clusters to liquid structure in AlCl3 and FeCl3 . Physics and Chemistry of Liquids 45:5, pages 487-501.
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R. Ruberto, G. Pastore, Z. Akdeniz & M. P. Tosi. (2007) Structure and diffusion in aluminium and gallium trihalide melts from simulations based on intramolecular force laws. Molecular Physics 105:17-18, pages 2383-2392.
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M. P. Tosi . (2005) Metal-halide molecular clusters: from fundamentals to model interactions. Physics and Chemistry of Liquids 43:5, pages 409-421.
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Anurag Srivastava & R.K. Singh. (2004) Pressure induced phase transitions in Ga1 −  In P. Phase Transitions 77:4, pages 397-403.
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Sadhna Singh & R.K. Singh. (2001) Pressure induced phase transformations in alkali metal hydrides. High Pressure Research 21:2, pages 105-113.
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Z. Akdeniz & M. P. Tosi. (1999) Short and intermediate range order in molten trivalent metal halides and oxides. Philosophical Magazine B 79:11-12, pages 1833-1838.
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R.K. Singh & Sadhna Singh. (1995) Pressure induced phase transitions in Ga1-xInxAs. Phase Transitions 54:1, pages 61-67.
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R.K. Singh & D.C. Gupta. (1995) High pressure phase transitions and elastic properties of IV-VI compound semiconductors. Phase Transitions 53:1, pages 39-51.
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Tai-Hyung Kwon. (1992) Modified Einstein model applied to a KBr crystal to study the thermodynamic properties. Philosophical Magazine Letters 65:5, pages 261-266.
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N.L. Allan, M. Braithwaite, D.L. Cooper, W.C. Mackrodt & B. Petch. (1992) Polar Solids at High Pressure: NaF. Molecular Simulation 9:2, pages 161-169.
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A.M. Stoneham, V.T. B. Torres, P.M. Masri & H.R. Schober. (1988) Interatomic potentials in semiconductors and their validity for defect calculations. Philosophical Magazine A 58:1, pages 93-106.
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V. Mishra, S.P. Sanyal & R.K. Singh. (1987) Many-body effects on Schottky defect formation energy in ionic solids. Philosophical Magazine A 55:5, pages 583-599.
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C.R. A. Catlow & A.N. Cormack. (1987) Computer modelling of silicates. International Reviews in Physical Chemistry 6:3, pages 227-250.
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J.N. Murrell, J. Tennyson & M.A. Kamel. (1981) Many-body contributions to the intermolecular potential in alkali halide crystals and clusters. Molecular Physics 42:4, pages 747-755.
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M.A. Ball & S. Hajaig. (1981) The derivation of force constant information from experimental data. Philosophical Magazine B 43:2, pages 309-320.
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M.J.L. Sangster & M. Dixon. (1976) Interionic potentials in alkali halides and their use in simulations of the molten salts. Advances in Physics 25:3, pages 247-342.
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M. Dixon & M.J. L. Sangster. (1976) Density and ion size effects in polarisable models of molten KI. Physics and Chemistry of Liquids 5:3, pages 221-236.
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S.K. Sinba. (1973) Phonons in semiconductors. C R C Critical Reviews in Solid State Sciences 3:3, pages 273-334.
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Dinesh C. Gupta & Kailash C. Singh. (2011) High-pressure phase transition and thermoelastic properties of europium chalcogenides. Journal of Molecular Modeling 18:7, pages 3003-3012.
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Michael Grünwald, Alexey Zayak, Jeffrey B. Neaton, Phillip L. Geissler & Eran Rabani. (2012) Transferable pair potentials for CdS and ZnS crystals. The Journal of Chemical Physics 136:23.
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Anurag SrivastavaBhoopendra Dhar Diwan. (2012) Elastic and thermodynamic properties of divalent transition metal carbides M C ( M = Ti, Zr, Hf, V, Nb, Ta) . Canadian Journal of Physics 90:4, pages 331-338.
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D. C. Gupta & G. S. Raypuria. (2011) High pressure phase transition and elastic behaviour of lanthanum monochalcogenides. The European Physical Journal B 84:1, pages 99-108.
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Dinesh Varshney, R. Sapkale, G.J. Dagaonkar & Meenu Varshney. (2011) Pressure dependent elastic properties of diluted magnetic semiconductors: Hg1−xMnxS (x=0.02 and 0.07). Journal of Physics and Chemistry of Solids 72:8, pages 945-953.
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Vipul Srivastava, Sanjay Bhajanker & Sankar P. Sanyal. (2011) High pressure effect on structural and mechanical properties of some LnO (Ln=Sm, Eu, Yb) compounds. Physica B: Condensed Matter 406:11, pages 2158-2162.
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K.M. Raju. (2010) Temperature Dependent Anharmonic Properties of Lead Chalcogenides. Acta Physica Polonica A 118:4, pages 600-605.
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Dinesh C. Gupta & Kailash C. Singh. (2010) Thermo-elastic and structural properties of thorium chalcogenides: A high pressure study. Solid State Sciences 12:10, pages 1809-1815.
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SADHNA SINGH, R. K. SINGH & ATUL GOUR. (2012) HIGH-PRESSURE PHASE TRANSITION AND STABILITY OF CeSb , LaSb , AND LuSb WITH NaCl -TYPE STRUCTURE . International Journal of Modern Physics B 24:18, pages 3543-3550.
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Dinesh Chandra Gupta & Ashok Kumar Baraiya. (2010) High pressure phase-transition, elastic and thermal properties of uranium chalcogenides: A model study. Journal of Alloys and Compounds 499:1, pages 90-97.
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Alpana Tiwari, N.K. Gaur & R.K. Singh. (2010) Anomalous thermoelastic behaviour of orientationally disordered (NH4I)x(KI)1−x mixed crystals. Journal of Physics and Chemistry of Solids 71:5, pages 717-721.
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Haibo Yu, Troy W. Whitfield, Edward Harder, Guillaume Lamoureux, Igor Vorobyov, Victor M. Anisimov, Alexander D. MacKerellJr.Jr. & Benoît Roux. (2010) Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field. Journal of Chemical Theory and Computation 6:3, pages 774-786.
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S Singh, K Aneesh & R K Singh. (2010) Structural phase transition in NdAs. Journal of Physics: Conference Series 215, pages 012112.
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Alpana Tiwari, N K Gaur & P Singh. (2010) Thermoelastic properties of mixed (NaCN) x (NaCl) 1−x . Journal of Physics: Conference Series 215, pages 012062.
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R. Ruberto, G. Pastore & M.P. Tosi. (2010) Structural connectivity and ionic transport in molten ZnCl2: Optimization of chlorine interaction parameters. Physica B: Condensed Matter 405:3, pages 974-980.
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Seema Gupta & Suresh C. Goyal. (2009) Seismic wave velocities of rare gas solids through elastic properties in Earth’s lower mantle. Science in China Series D: Earth Sciences 52:10, pages 1599-1611.
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Purvee Bhardwaj, Sadhna Singh & N.K. Gaur. (2009) Structural, elastic and thermophysical properties of divalent metal oxides with NaCl structure. Materials Research Bulletin 44:6, pages 1366-1374.
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Alpana Tiwari, N. K. Gaur & R. K. Singh. (2009) Thermoelastic behaviour of orientationally disordered NH 4 Br . physica status solidi (b) 246:6, pages 1215-1220.
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Purvee Bhardwaj, Sadhna Singh & N.K. Gaur. (2009) Phase transition, mechanical properties and stability of strontium chalcogenides under high pressure. Journal of Molecular Structure: THEOCHEM 897:1-3, pages 95-99.
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N. N. Kovaleva, A. V. Boris, L. Capogna, J. L. Gavartin, P. Popovich, P. Yordanov, A. Maljuk, A. M. Stoneham & B. Keimer. (2009) Dipole-active optical phonons in : Ellipsometry study and lattice-dynamics calculations . Physical Review B 79:4.
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Atul Gour, Sadhna Singh & R.K. Singh. (2009) Theoretical analysis of pressure-induced phase transition of EuS and EuSe including the role of temperature. Journal of Alloys and Compounds 468:1-2, pages 438-442.
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Z. Çiçek Önem, Z. Akdeniz & M.P. Tosi. (2008) An ionic force-field study of monomers, dimers and higher polymers in pentafluoride vapors. Physica B: Condensed Matter 403:17, pages 2797-2801.
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Atul Gour, Sadhna Singh & R.K. Singh. (2008) Study of high-pressure phase transition of CeTe and EuTe through three-body interaction potential approach. Journal of Physics and Chemistry of Solids 69:7, pages 1669-1675.
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Audrey Valentin, Johann Sée, Sylvie Galdin-Retailleau & Philippe Dollfus. (2008) Study of phonon modes in silicon nanocrystals using the adiabatic bond charge model. Journal of Physics: Condensed Matter 20:14, pages 145213.
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Dinesh Varshney, U Sharma & N Kaurav. (2008) Pressure induced B3–B1 structural phase transformation and elastic properties of semi-magnetic semiconductors Zn 1− x M x Se (M = Mn,Fe and Cd) . Journal of Physics: Condensed Matter 20:7, pages 075204.
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Raja Chauhan, Sadhna Singh & Ram Singh. (2008) Structural stability of TiO and TiN under high pressure. Open Physics 6:2.
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Preeti Singh, N. K. Gaur & R. K. Singh. (2007) Influence of temperature on elastic properties of caesium cyanide. physica status solidi (b) 244:9, pages 3099-3104.
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Troy W. Whitfield & Glenn J. Martyna. (2007) Low variance energy estimators for systems of quantum Drude oscillators: Treating harmonic path integrals with large separations of time scales. The Journal of Chemical Physics 126:7.
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Richard Catlow. 2006. Encyclopedia of Inorganic Chemistry. Encyclopedia of Inorganic Chemistry.
Dinesh Varshney, P. Sharma, N. Kaurav, S. Shah & R. K. Singh. (2005) Study of Elastic Properties and Their Pressure Dependence of Semi Magnetic Semiconductors. Journal of the Physical Society of Japan 74:1, pages 382-388.
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Seema Gupta & S.C. Goyal. (2004) Effect of temperature on elastic properties of rare gas solids. Physica B: Condensed Matter 352:1-4, pages 24-35.
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S. Gupta & S.C. Goyal. (2003) Pressure derivatives of bulk and shear modulus of rare gas solids. Journal of Physics and Chemistry of Solids 64:7, pages 1125-1130.
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Seema Gupta & S.C. Goyal. (2003) Pressure derivatives of isothermal bulk modulus of rare gas solids. Solid State Communications 126:5, pages 297-300.
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Sadhna Singh. (2002) High Pressure Phase Transitions and Elastic Behaviour in Calcium Chalcogenides. Journal of the Physical Society of Japan 71:10, pages 2477-2479.
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Z. Akdeniz & M.P. Tosi. (2002) Molecular clusters in zirconium and thorium tetrachloride melts. Journal of Molecular Liquids 96-97, pages 439-443.
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N. N. Kovaleva, J. L. Gavartin, A. L. Shluger, A. V. Boris & A. M. Stoneham. (2002) Lattice relaxation and charge-transfer optical transitions due to self-trapped holes in nonstoichiometric LaMnO3 crystal. Journal of Experimental and Theoretical Physics 94:1, pages 178-190.
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Eran Rabani. (2002) An interatomic pair potential for cadmium selenide. The Journal of Chemical Physics 116:1, pages 258-262.
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K.S Upadhyaya, G.K Upadhyaya & A.N Pandey. (2002) Unified study of lattice dynamics of NiO. Journal of Physics and Chemistry of Solids 63:1, pages 127-133.
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V.G. Plekhanov. (2001) Isotope effects on the lattice dynamics of crystals. Materials Science and Engineering: R: Reports 35:4-6, pages 139-237.
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Jyotsna Galgale, N.K. Gaur & R.K. Singh. (2001) Phonon dynamics of orientationally disordered mixed crystals (RbCN)x(RbBr)1−x. Journal of Luminescence 94-95, pages 713-717.
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N.K. Gaur, Jyotsna Galgale, M. Manake & R.K. Singh. (2001) Elastic softening in static shear modulii of orientationally disordered (KCN)x(RbCN)1−x mixed crystals. Journal of Luminescence 94-95, pages 755-759.
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Kripa Shankar Upadhyaya, Gopal Krishna Upadhyaya & Mahendra Yadav. (2001) Lattice Dynamics of Transition Metal Oxides-An Application to FeO in the Paramagnetic Phase. Journal of the Physical Society of Japan 70:3, pages 723-728.
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C. Stassis. 2001. Handbook of Elastic Properties of Solids, Liquids, and Gases. Handbook of Elastic Properties of Solids, Liquids, and Gases 393 418 .
Z. Akdeniz, Z. Çiçek & M.P. Tosi. (2000) Structure and energetics of neutral and cesium-compensated charged clusters in zirconium chloride melts. Journal of Molecular Liquids 88:2-3, pages 175-182.
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S. Singh, R.K. Singh, B.P. Singh, S.K. Singhal & R. Chopra. (2000) Structural Properties of KBr: Elastic Behaviour and Pressure Effects. physica status solidi (a) 180:2, pages 459-466.
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M.P. Tosi. (1999) Modelling the intermediate range order in liquid trivalent-metal halides and oxides. Journal of Molecular Liquids 83:1-3, pages 23-30.
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L. G. Ferreira, V. Ozoliņš & Alex Zunger. (1999) Fitting of accurate interatomic pair potentials for bulk metallic alloys using unrelaxed LDA energies. Physical Review B 60:3, pages 1687-1696.
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Mark C Wojcik & Kersti Hermansson. (1998) The problem of the detaching shell in the shell model potential for oxides. Chemical Physics Letters 289:1-2, pages 211-218.
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Sadhna Singh & R. K. Singh. (1997) Phase Transition in Partially Covalent Semiconductors-InSb. Journal of the Physical Society of Japan 66:6, pages 1714-1717.
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G.W. Watson, P. Tschaufeser, A. Wall, R.A. Jackson & S.C. Parker. 1997. Computer Modeling in Inorganic Crystallography. Computer Modeling in Inorganic Crystallography 55 81 .
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Mikhail A. KrivoglazMikhail A. Krivoglaz. 1996. X-Ray and Neutron Diffraction in Nonideal Crystals. X-Ray and Neutron Diffraction in Nonideal Crystals 75 145 .
Prafulla K. Jha & Sankar P. Sanyal. (1995) Lattice vibrations in Yb-pnictide compounds. Physical Review B 52:22, pages 15898-15902.
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Taka-hisa Arima & Yoshinori Tokura. (1995) Optical Study of Electronic Structure in Perovskite-Type R M O 3 ( R =La, Y; M =Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu) . Journal of the Physical Society of Japan 64:7, pages 2488-2501.
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F. Bechstedt, M. Fiedler, C. Kress & R. Del Sole. (1994) Model for inverse dielectric matrices of semiconductors. Solid State Communications 89:8, pages 669-672.
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S. Koval & R. Migoni. (1994) Consistent anharmonic-shell-model calculation for the Raman mode in silicon. Physical Review B 49:2, pages 998-1004.
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A. P. Mirgorodsky, M. I. Baraton & P. Quintard. (1993) Lattice dynamics and prediction of pressure-induced incommensurate instability of a β- lattice within a simple mechanical model . Physical Review B 48:18, pages 13326-13332.
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W. Bührer, E. Lafougère & H. Lutz. (1993) Lattice dynamics of pyrite FeS2 by coherent neutron scattering. Journal of Physics and Chemistry of Solids 54:11, pages 1557-1565.
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P Bourson & D Durand. (1993) Pseudo-oriented dipole calculations of the lattice potential and phase transition interpretation in KCN. Journal of Physics: Condensed Matter 5:39, pages 7203-7214.
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W. H. Weber, K. C. Hass & J. R. McBride. (1993) Raman study of : Second-order scattering, lattice dynamics, and particle-size effects . Physical Review B 48:1, pages 178-185.
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B.R.K. Gupta. (1993) Static and thermoelastic properties of alkali cyanide crystals. Infrared Physics 34:3, pages 333-336.
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S.S. Bedi, Major Singh & Jaspal Singh. (1993) Temperature dependence of the second order elastic constants of flourite solids. Solid State Communications 85:9, pages 805-809.
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S.S. Bedi, Major Singh & Jaspal Singh. (1993) Temperature dependence and long wavelength behaviour of magnesium stannide. Journal of Physics and Chemistry of Solids 54:3, pages 371-374.
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Belinda C. Morris, Wendy R. Flavell, William C. Mackrodt & Michael A. Morris. (1993) Lattice parameter changes in the mixed-oxide system Ce 1–x La x O 2–x/2 : a combined experimental and theoretical study . J. Mater. Chem. 3:10, pages 1007-1013.
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Y Y Yeung. (1992) Local distortions and spin parameters of Gd 3+ in some orthorhombic CaF 2 complexes . Journal of Physics: Condensed Matter 4:48, pages 9741-9750.
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W. B. J. M. Janssen, A. Der Van Avoird, J. Köhler & D. Schmid. (2006) Luminescence Spectra and Lattice Dynamics of NaNO 2 in the Ferroelectric Phase . physica status solidi (b) 173:2, pages 587-599.
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H W Leite Alves & K Kunc. (1992) Lattice dynamics of boron phosphide. Journal of Physics: Condensed Matter 4:31, pages 6603-6612.
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A Greco, S Koval & R Migoni. (1992) Electronic polarizability effects on the anharmonic phonon shift and damping in ionic crystals. Journal of Physics: Condensed Matter 4:23, pages 5291-5300.
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Joseph M. Watson, I. NoorBatcha & Robert R. Lucchese. (1992) Classical trajectory simulations of photodissociation of CH3Br at surfaces. The Journal of Chemical Physics 96:10, pages 7771-7787.
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R. K. Singh & Sadhna Singh. (1992) High-pressure phase transition and elastic behavior of aluminum compound semiconductors. Physical Review B 45:2, pages 1019-1022.
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N.L. ALLAN, M. BRAITHWAITE, D.L. COOPER, W.C. MACKRODT & S.C. WRIGHT. 1992. Shock Compression of Condensed Matter–1991. Shock Compression of Condensed Matter–1991 53 56 .
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A Greco & O Zandron. (1991) Inclusion of fermionic degrees of freedom in the lattice dynamics shell model. Journal of Physics A: Mathematical and General 24:18, pages 4407-4420.
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R. K. Singh, S. S. Mitra & C. N. Rao. (1991) Temperature variations of the elastic constants of and crystals . Physical Review B 44:2, pages 838-840.
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J. Shanker & S. Dixit. (1991) Dielectric Constants and Their Pressure and Temperature Derivatives for Ionic Crystals. Physica Status Solidi (a) 123:1, pages 17-50.
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V. P. Gupta & S. K. Sipani. (1990) The Analysis of Rydberg Potential and van der Waals Interactions in Alkali Halides. physica status solidi (b) 161:1, pages 131-143.
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G. D. Mahan & M. Mostoller. (1990) Lattice dynamics with indirect ionic interactions. Physical Review B 41:15, pages 10824-10829.
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G. D. Mahan. (1990) Lattice dynamics of ionic crystals. Physical Review B 41:15, pages 10808-10815.
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N V K Prabhakar, R K Singh, N K Gaur & N N Sharma. (1990) High-pressure phase transitions in some alkali halides. Journal of Physics: Condensed Matter 2:15, pages 3445-3449.
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R K Singh & C N Rao. (1990) Elastic behaviour of lead fluoride under pressure. Pramana 34:4, pages 297-302.
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E. Haque & A. K. M. A. Islam. (1990) Hydrides and Deuterides of Lithium and Sodium. I. Model Potentials and Their Use in Perfect Lattice. physica status solidi (b) 158:2, pages 457-468.
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N L Allan & W C Mackrodt. (1989) Calculated surface phonon densities of states of ionic oxides and fluorides. Journal of Physics: Condensed Matter 1:SB, pages SB189-SB190.
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R. K. Singh, C. N. Rao & S. P. Sanyal. (1989) Temperature dependence of elastic constants of some fluorite crystals. Physical Review B 39:18, pages 13493-13497.
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A. Dobry, A. Greco, R. Migoni & O. Zandron. (1989) Classical statistical mechanics of the nonlinear adiabatic shell model: Monatomic chain with quartic core-shell interaction. Physical Review B 39:16, pages 12182-12188.
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