Lattice dynamics of antimony at high pressure: an ab initio study

References

• Donohue , J. 1974 . “ The structures of the Elements ” . New York : Wiley .
   Google Scholar
• Wang , X. , Kunc , K. , Loa , I. , Schwarz , U. and Syassen , K. 2006 . Effect of pressure on the Raman modes of antimony . Phys. Rev. B , 74 : 134305 1–10
   Google Scholar
• G.A. Saunders and Y.K. Yo urtcu, Third order elastic constants and anharmonicity of antimony, Phys. Rev. B 30 (1984), pp. 5734–5741.
   Google Scholar
• Murray , É. D. , Fahy , S. , Prendergast , D. , Ogitsu , T. , Fritz , D. M. and Reis , D. A. 2007 . Phonon dispersion relations and softening in photoexcited bismuth from first principles . Phys. Rev. B , 75 : 184301 1–6
   Google Scholar
• Díaz-Sánchez , L. E. , Romero , A. H. , Cardona , M. , Kremer , R. K. and Gonze , X. 2007 . Effect of the spin-orbit interaction on the thermodynamic properties of crystals: specific heat of bismuth . Phys. Rev. Lett , 99 : 165504 1–4
   PubMedGoogle Scholar
• Díaz-Sánchez , L. E. , Romero , A. H. and Gonze , X. 2007 . Phonon band structure and interatomic force constants for bismuth: crucial role of spin-orbit interaction . Phys. Rev. B , 76 : 104302 1–7
   Google Scholar
• Sharp , R. I. and Warming , E. 1971 . The lattice dynamics of antimony . J. Phys. F: Metal Phys , 1 : 570 – 587 .
   Google Scholar
• Liu , Y. and Allen , R. 1995 . Electronic structure of the semimetals Bi and Sb . Phys. Rev. B , 52 : 1566 – 1577 .
   Google Scholar
• J. Serrano, K. Syassen, A.H. Romero, M. Verstraete, A. Bosak, and M. Krisch, unpublished.
   Google Scholar
• The ABINIT code, Université Catholique de Louvain, Corning Inc. Available at URL http://www.abinit.org
   Google Scholar
• Gonze , X. , Beuken , J.-M. , Caracas , R. , Detraux , F. , Fuchs , M. , Rignanese , G.-M. , Sindic , L. , Verstraete , M. , Zerah , G. , Jouet , F. , Torrent , M. , Roy , A. , Mikami , M. , Ghosez , P. , Raty , J.-Y. and Allan , D. C. 2002 . First-principles computation of material properties: the ABINIT software project . Comput. Mat. Sci , 25 : 478 – 492 .
   Web of Science ®Google Scholar
• Gonze , X. , Riganese , G.-M. , Verstraete , M. , Betiken , J. , Pouillon , Y. , Caracas , R. , Jollet , F. , Torrent , M. , Zerah , G. , Mikami , M. , Ghosez , P. , Veithen , M. , Raty , J.-Y. , Olevano , V. , Bruneval , F. , Reining , L. , Godby , R. , Onida , G. , Hamann , D. R. and Allan , D. C. 2005 . A brief introduction to the ABINIT software package . 220 : 558 – 562 . Z. Kristallogr
   Google Scholar
• Hartwigsen , C. , Goedecker , S. and Hutter , J. 1996 . Relativistic separable dual-space Gaussian pseudopotentials from H to Rn . Phys. Rev. B , 58 : 3641 – 3662 .
   Google Scholar
• Serrano , J. , Kremer , R. K. , Cardona , M. , Siegle , G. , Diaz-Sánchez , L. E. and Romero , A. H. 2008 . Specific heat of Sb: isotopic and spin-orbit effects from measurements and ab initio calculations . Phys. Rev. B , 77 : 054303 1–5
   Google Scholar
• Gonze , X. and Lee , C. 1997 . Dynamical matrices, born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory . Phys. Rev. B , 55 : 10355 – 10368 .
   Web of Science ®Google Scholar
• Farber , D. L. , Krisch , M. , Antonangeli , D. , Beraud , A. , Badro , J. , Occelli , F. and Orlikowski , D. 2006 . Lattice dynamics of molybdenum at high pressure . Phys. Rev. Lett , 96 : 115502 1–4
   PubMedGoogle Scholar
• Serrano , J. , Cardona , M. , Ritter , T. M. , Weinstein , B. A. , Rubio , A. and Lin , C. T. 2002 . Pressure and temperature dependence of the Raman phonons in isotopic γ-CuI . Phys. Rev. B , 66 : 245202 1–12
   Google Scholar
• Serrano , J. , Manjon , F. J. , Romero , A. H. , Lauck , R. , Cardona , M. and Rubio , A. 2004 . Pressure dependence of the lattice dynamics of ZnO: an ab initio approach . Phys. Rev. B , 69 : 094306 1–14
   Web of Science ®Google Scholar