Open Access
Int. J. Simul. Multisci. Des. Optim.
Volume 6, 2015
Article Number A7
Number of page(s) 6
Published online 23 December 2015
  1. Havinga EE, Bosman AJ. 1965. Temperature dependence of dielectric constants of crystals with NaCl and CsCl structure. Phys. Rev., 140, A292–A303. [CrossRef] [Google Scholar]
  2. Agrawal BS, Kirby RD, Hardy JR. 1975. Theoretical and experimental studies of the second-order Raman spectra of CsCl, CsBr, and CsI. Phys. Rev. B, 11, 5153–5162. [CrossRef] [Google Scholar]
  3. Samara A. 1980. Pressure and temperature dependences of the ionic conductivity of CsCl. Phys. Rev. B, 22, 6476–6479. [CrossRef] [Google Scholar]
  4. Motais P, Belin E, Bonnelle C. 1982. Direct radiative recombination of core-hole highly excited states in CsCl. Phys. Rev. B, 25, 5492–5498. [CrossRef] [Google Scholar]
  5. Vohra YK, Duclos SJ, Ruoff AL. 1985. Instability of the CsC1 Structure in ionic solids at high pressures. Phys. Rev. Lett., 54, 570–573. [CrossRef] [Google Scholar]
  6. Satpathy S. 1986. Electron energy bands and cohesive properties of CsC1, CsBr, and Csl. Phys. Rev. B, 33, 8706–8715. [CrossRef] [Google Scholar]
  7. Tiwary CS, Verma A, Biswas K, Mondal AK, Chattopadhyay K. 2011. Preparation of ultrafine CsCl crystallites by combined cryogenic and room temperature ball milling. Ceram. Int., 37, 3677–3686. [CrossRef] [Google Scholar]
  8. Ruusa R, Kukk E, Huttula M, Aksela H, Aksela S. 2005. Resonant VUV absorption in CsCl monomers and dimers-experiment and theory. J. Electron Spectros. Relat. Phenomena, 144–147, 1215–1218. [CrossRef] [Google Scholar]
  9. Leea CJ, Hana JI, Choib DK, Moonc DG. 2010. Transparent organic light-emitting devices with CsCl capping layers on semitransparent Ca/Ag cathodes. J. Mater. Sci. Eng. B, 172, 76–79. [CrossRef] [Google Scholar]
  10. Lisek I, Kapala J, Miller M. 1998. Thermodynamic study of the CsCl–NdCl3 system by Knudsen effusion mass spectrometry. J. Alloys Compd., 278, 113–122. [CrossRef] [Google Scholar]
  11. Novakovic N, Ivanovic N, Koteski V, Radisavljevic I, Belosevic-Cavor J, Cekic B. 2006. Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds. Intermetallics, 14, 1403–1410. [CrossRef] [Google Scholar]
  12. Florez M, Recio JM, Francisco E, Blanco MA, Martin Pendas A. 2002. First-principles study of the rocksalt–cesium chloride relative phase stability in alkali halides. Phys. Rev. B, 66, 144112–144117. [CrossRef] [Google Scholar]
  13. Born M, Huang K. 1954. Dynamical theory of crystal lattices. Oxford University Press: New York. [Google Scholar]
  14. Darnell AJ, McCollum WA. 1970. Thermodynamics of the Fm3m ⇄ Pm3m transition in the potassium and rubidium halides. J. Phys. Chem. Solids, 31, 805–815. [CrossRef] [Google Scholar]
  15. Basset WA, Takahashi T, Mao HK, Weaber JS. 1968. Pressure-induced phase transformation in NaCl. J. Appl. Phys., 39, 319–325. [CrossRef] [Google Scholar]
  16. Petrunina TI, Soshnikov VI, Estrin EI. 1972. Hysteresis and the features of phase transformation in rubidium halides under pressure. Sov. Phys. Crystallogr., 17, 367–369. [Google Scholar]
  17. Vaidya N, Kennedy GC. 1971. Compressibility of 27 halides to 45 kbar. J. Phys. Chem. Solids, 32, 951–964. [CrossRef] [Google Scholar]
  18. Mei WN, Boyer LL, Mehl MJ, Ossowski MM, Stokes HT. 2000. Calculation of electronic, structural, and vibrational properties in alkali halides using a density-functional method with localized densities. Phys. Rev. B, 61, 11425–11431. [CrossRef] [Google Scholar]
  19. Lacam A, Peyronneau J. 1973. Polymorphic transition of rubidium chloride under high pressure. Effect of experimental parameters on hysteresis effect. J. Phys. (Paris), 34, 1047–1053. [CrossRef] [EDP Sciences] [Google Scholar]
  20. Sims CE, Barrera GD, Allan NL, Mackrodt WC. 1998. Thermodynamics and mechanism of the B1-B2 phase transition in group-I halides and group-II oxides. Phys. Rev. B, 57, 11164–11172. [CrossRef] [Google Scholar]
  21. Pistorius CWFT. 1976. Phase relations and structures of solids at high pressures. Prog. Solid State Chem., 11, 1–151. [CrossRef] [Google Scholar]
  22. Kohler U, Johannsen PG, Hozapfel WB. 1997. Equation-of-state data for CsCl-type alkali halides. J. Phys. Condens. Matter, 9, 5581–5592. [CrossRef] [Google Scholar]
  23. Yagi T. 1978. Experimental determination of thermal expansivity of several alkali halides at high pressures. J. Phys. Chem. Solids, 39, 563–571. [CrossRef] [Google Scholar]
  24. Hofmeister AM. 1997. IR spectroscopy of alkali halides at very high pressures: Calculation of equations of state and of the response of bulk moduli to the B1−B2 phase transition. Phys. Rev. B, 56, 5835–5855. [CrossRef] [Google Scholar]
  25. Gonze X, Beuken JM, Caracas R, Detraux F, Fuchs M, Rignanese GM, Sindic L, Verstrate M, Zerah G, Jollet F, Torrent M, Roy A, Mikami M, Ghosez P, Raty JY, Allan DC. 2002. First-principle computation of material properties: the ABINIT software. Comput. Mater. Sci., 25, 478–492. [CrossRef] [Google Scholar]
  26. Perdew JP, Burke K, Ernzerhof M. 1996. Generalized gradient approximation made simple. Phys. Rev. Lett., 77, 3865–3868. [NASA ADS] [CrossRef] [PubMed] [Google Scholar]
  27. Kohn W, Sham LJ. 1965. Self-consistent equations including exchange and correlation effects. Phys. Rev., 140, A1133. [CrossRef] [MathSciNet] [Google Scholar]
  28. Payne MC, Teter MP, Allan DC, Arias TA, Joannopoulos JD. 1992. Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients. Rev. Mod. Phys., 64, 1045–1097. [CrossRef] [Google Scholar]
  29. Monkhorst HJ, Pack JD. 1976. Special points for Brillouin-zone integrations. Phys. Rev. B, 13, 5188–5192. [CrossRef] [MathSciNet] [Google Scholar]
  30. Kittel C. 1996. Introduction to solid state physics, 7th Edition. John Wiley and Sons Inc.: USA. [Google Scholar]
  31. Poole RT, Jenkin JG, Liesegang J, Leckey RCG. 1975. Electronic band structure of the alkali halides. I. Experimental parameters. Phys. Rev. B, 11, 5179–5185. [CrossRef] [Google Scholar]
  32. Philipp HR, Ehrenreich H. 1963. Optical properties of semiconductors. Phys. Rev., 129, 1550–1560. [CrossRef] [Google Scholar]
  33. Lee C, Gonze X. 1995. Ab initio calculation of the thermodynamic properties and atomic temperature factors of SiO2 α-quartz and stishovite. Phys. Rev. B, 51, 8610–8163. [CrossRef] [Google Scholar]

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.