341
Views
28
CrossRef citations to date
0
Altmetric
Ab-initio Calculations

Fermi surface nesting and phonon instabilities in simple cubic calcium

, , &
Pages 443-448 | Received 19 Jun 2008, Published online: 16 Dec 2008

References

  • Neaton , J. B. and Ashcroft , N. W. 1999 . Pairing in dense lithium . Nature , 400 : 141 – 144 .
  • Bergara , A. , Neaton , J. B. and Ashcroft , N. W. 2000 . Pairing, π-bonding, and the role of nonlocality in a dense lithium monolayer . Phys. Rev. B , 62 : 8494 – 8499 .
  • Rodriguez-Prieto , A. , Silkin , V. M. , Bergara , A. and Echenique , P. M. 2008 . Anomalous static electronic screening in compressed lithium . New J. Phys , 10 : 053035
  • Ma , Y. , Oganov , A. R. and Xie , Y. 2008 . High-pressure structures of lithium, potassium, and rubidium predicted by an ab initio evolutionary algorithm . Phys. Rev. B , 78 : 014102
  • Struzhkin , V. V. , Eremets , M. I. , Gan , W. , Mao , H. K. and Hemley , R. J. 2002 . Superconductivity in dense lithium . Science , 298 : 1213 – 1215 .
  • Shimizu , K. , Ishikawa , H. , Takao , D. , Yagi , T. and Amaya , K. 2002 . Superconductivity in compressed lithium at 20 K . Nature , 419 : 597 – 599 .
  • Tuoriniemi , J. , Juntunen-Nurmilaukas , K. , Uusvuori1 , J. , Pentti , E. , Salmela , A. and Sebedash , A. 2007 . Superconductivity in lithium below 0.4 millikelvin at ambient pressure . Nature , 447 : 187 – 189 .
  • Hanfland , M. , Syassen , K. , Christensen , N. E. and Novikov , D. L. 2000 . New high-pressure phases of lithium . Nature , 408 : 174 – 178 .
  • Olijnyk , H. and Holzapfel , W. B. 1984 . Phase transitions in alkaline earth metals under pressure . Phys. Lett , 100A : 191 – 194 .
  • Ahuja , R. , Eriksson , O. , Wills , J. M. and Johansson , B. 1995 . Theoretical confirmation of the high pressure simple cubic phase in calcium . Phys. Rev. Lett , 75 : 3473 – 3476 .
  • Skriver , H. L. 1982 . Calculated structural phase transitions in the alkaline Earth metals . Phys. Rev. Lett , 49 : 1768 – 1772 .
  • Yabuuchi , T. , Nakamoto , Y. , Shimizu , K. and Kikegawa , T. 2005 . New high-pressure phase of calcium . J. Phys. Soc. Jpn , 74 : 2391 – 2392 .
  • Ishikawa , T. , Ichikawa , A. , Nagara , H. , Geshi , M. , Kusakabe , K. and Suzuki , N. 2008 . Theoretical study of the structure of calcium in phases IV and V via ab initio metadynamics simulation . Phys. Rev. B , 77 : 020101
  • Yabuuchi , T. , Matsuoka , T. , Nakamoto , Y. and Shimizu , K. 2006 . Superconductivity of Ca exceeding 25 K at megabar pressures . J. Phys. Soc. Jpn , 75 : 083703
  • Gao , G. , Xie , Y. , Cui , T. , Ma , Y. , Zhang , L. and Zou , G. 2008 . Electronic structures, lattice dynamics, and electron–phonon coupling of simple cubic Ca under pressure . Solid State Commun , 146 : 181 – 185 .
  • Hohenberg , P. and Kohn , W. 1964 . Inhomogeneous electron gas . Phys. Rev , 136 : B864 – B871 .
  • Kohn , W. and Sham , L. J. 1965 . Self-consistent equations including exchange and correlation effects . Phys. Rev , 140 : A1133 – A1138 .
  • Baroni , S. , Gironcoli , S. , Dal Corso , A. and Giannozzi , P. 2001 . Phonons and related crystal properties from density- functional perturbation theory . Rev. Mod. Phys , 73 : 515 – 562 .
  • S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, http://www.pwscf.org/
  • Perdew , J. P. , Burke , K. and Ernzerhof , M. 1996 . Generalized radient approximation made simple . Phys. Rev. Lett , 77 : 1396 – 3868 .
  • Vanderbilt , D. 1990 . Soft self-consistent pseudopotentials in a generalized eigenvalue formalism . Phys. Rev. B , 41 : 7892 – 7895 .
  • Monkhorst , H. J. and Pack , J. D. 1976 . Special points for Brillouin-zone integrations . Phys. Rev. B , 13 : 5188 – 5192 .
  • Jona , F. and Marcus , P. M. 2006 . Computational study of Ca, Sr and Ba under pressure . J. Phys. Condens. Matter , 18 : 4623 – 4640 .
  • Kohn , W. 1959 . Image of the Fermi surface in the vibration spectrum of a metal . Phys. Rev. Lett , 2 : 393 – 394 .
  • Chan , S. K. and Heine , V. 1973 . Spin density wave and soft phonon mode from nesting Fermi surfaces . J. Phys. F Met. Phys , 3 : 795 – 809 .
  • Rodriguez-Prieto , A. , Bergara , A. , Silkin , V. M. and Echenique , P. M. 2006 . Complexity and Fenni surface deformation in compressed lithium . Phys. Rev. B , 74 : 172104
  • Rodriguez-Prieto , A. , Silkin , V. M. and Bergara , A. 2007 . Nesting induced Peierls-type instability for compressed Li-cI16 . J. Phys. Soc. Jpn , 76 : 21 – 22 .
  • Blaha , P. and Callaway , J. 1985 . Electronic structure and Fermi surface of calcium . Phys. Rev. B , 32 : 7664 – 7669 .
  • Lopez-Rios , C. and Sommers , C. B. 1975 . Optical properties of calcium . Phys. Rev. B , 12 : 2181 – 2188 .
  • Pickett , W. E. and Allen , P. B. 1977 . Superconductivity and phonon softening. III. Relation between electron bands and phonons in Nb, Mo, and their alloys . Phys. Rev. B , 16 : 3127 – 3132 .
  • Cohen , R. E. , Pickett , W. E. and Krakauer , H. 1989 . First-principles phonon calculations for La2CuO4 . Phys. Rev. Lett , 62 : 831 – 834 .
  • Hardy , J. R. and Flocken , J. W. 1988 . Possible origins of high-Tc superconductivity . Phys. Rev. Lett , 60 : 2191 – 2193 .
  • Cohen , R. E. , Pickett , W. E. and Krakauer , H. 1990 . Theoretical determination of strong electron-phonon coupling in YBa2Cu3O7 . Phys. Rev. Lett , 64 : 2575 – 2578 .
  • Yin , Z. P. , Savrasov , S. Y. and Pickett , W. E. 2006 . Linear response study of strong electron-phonon coupling in yttrium under pressure . Phys. Rev. B , 74 : 094519
  • Kasinathan , D. , Kunes , J. , Lazicki , A. , Rosner , H. , Yoo , C. S. , Scalettar , R. T. and Pickett , W. E. 2006 . Superconductivity and lattice instability in compressed lithium from Fermi surface hot spots . Phys. Rev. Lett , 96 : 047004
  • Degtyareva , O. , Magnitskaya , M. V. , Kohanoff , J. , Profeta , G. , Scandolo , S. , Hanfland , M. , McMahon , M. I. and Gregoryanz , E. 2007 . Competition of charge-density waves and superconductivity in sulfur . Phys. Rev. Lett , 99 : 155505

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.