Theoretical prediction of the elastic properties of body-centered cubic Fe-Ni-Mg alloys under extreme conditions

References

• Anderson , D . 1989 . Theory of the Earth , 366 Oxford : Blackwell Scientific Publications .
   Google Scholar
• McDonough , W . 2003 . “ Compositional model for the Earth's core ” . In Treatise on Geochemistry , Edited by: Carlson , RW . 547 New York : Elsevier .
   Google Scholar
• Hemley , R and Mao , H . 2001 . Int. Geol. Rev. , 43 : 1
   Web of Science ®Google Scholar
• Tateno , S , Hirose , K , Ohishi , Y and Tatsumi , Y . 2010 . Science , 330 : 359
   PubMed Web of Science ®Google Scholar
• Mikhaylushkin , A , Simak , S , Dubrovinsky , L , Dubrovinskaia , N , Johansson , B and Abrikosov , I . 2007 . Phys. Rev. Lett. , 99 : 165505
   PubMed Web of Science ®Google Scholar
• Ross , M , Young , DA and Grover , R . 1990 . J. Geophys. Res. , 95 : 21713
   Web of Science ®Google Scholar
• Matsui , M and Anderson , OL . 1997 . Phys. Earth Planet. Inter. , 103 : 55
   Web of Science ®Google Scholar
• Belonoshko , A , Ahuja , R and Johansson , B . 2003 . Nature , 424 : 1032
   PubMed Web of Science ®Google Scholar
• Belonoshko , A , Skorodumova , N , Davis , S , Osiptsov , A , Rosengren , A and Johansson , B . 2007 . Science , 316 : 1603
   PubMed Web of Science ®Google Scholar
• Dubrovinsky , L , Dubrovinskaia , N , Narygina , O , Kantor , I , Kuznetzov , A , Prakapenka , V , Vitos , L , Johansson , B , Mikhaylushkin , A , Simak , S and Abrikosov , I . 2007 . Science , 316 : 1880
   PubMed Web of Science ®Google Scholar
• Belonoshko , A , Skorodumova , N , Rosengren , A and Johansson , B . 2008 . Science , 319 : 797
   PubMed Web of Science ®Google Scholar
• Mattesini , M , Belonoshko , A , Buforn , E , Ramírez , M , Simak , AUSI , Mao , H and Ahuja , R . 2010 . Proc. Natl. Acad. Sci. USA , 107 : 9507
   PubMed Web of Science ®Google Scholar
• Luo , W , Johansson , B , Eriksson , O , Arapan , S , Souvatzis , P , Katsnelson , MI and Ahuja , R . 2010 . Proc. Natl. Acad. Sci. USA , 107 : 9962
   PubMed Web of Science ®Google Scholar
• Dziewonski , A and Anderson , D . 1981 . Phys. Earth Planet. Inter. , 25 : 297
   Web of Science ®Google Scholar
• Kádas , K , Vitos , L and Ahuja , R . 2008 . Earth Planet. Sci. Lett. , 271 : 221
   Web of Science ®Google Scholar
• Robie , RA , Hemingway , BS and Fisher , JR . 1978 . Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (105 pascals) pressure and at higher temperatures , Washington : U.S. Geological Survey Bulletin 1452 .
   Google Scholar
• Dubrovinskaia , N , Dubrovinsky , L and McCammon , C . 2004 . J. Phys. Cond. Mat. , 16 : S1143
   Web of Science ®Google Scholar
• Dubrovinskaia , N , Dubrovinsky , L , Kantor , I , Crichton , W , Dmitriev , V , Prakapenka , V , Shen , G , Vitos , L , Ahuja , R , Johansson , B and Abrikosov , I . 2005 . Phys. Rev. Lett. , 95 : 245502
   PubMed Web of Science ®Google Scholar
• Kádas , K , Vitos , L , Johansson , B and Ahuja , R . 2009 . Proc. Natl. Acad. Sci. USA , 106 : 15560
   PubMed Web of Science ®Google Scholar
• Kádas , K , Ahuja , R , Johansson , B , Eriksson , O and Vitos , L . 2011 . Solid State Comm. , 151 : 203
   Web of Science ®Google Scholar
• Asker , C , Kargén , U , Dubrovinsky , L and Abrikosov , IA . 2010 . Earth Planet. Sci. Lett. , 293 : 130
   Web of Science ®Google Scholar
• Hohenberg , P and Kohn , W . 1964 . Phys. Rev. , 136 : B864
   Web of Science ®Google Scholar
• Perdew , JP , Burke , K and Ernzerhof , M . 1996 . Phys. Rev. Lett. , 77 : 3865
   PubMed Web of Science ®Google Scholar
• Vitos , L , Skriver , HL , Johansson , B and Kollár , J . 2000 . Comp. Mat. Sci. , 18 : 24
   Web of Science ®Google Scholar
• Vitos , L . 2001 . Phys. Rev. B , 64 : 014107
   Web of Science ®Google Scholar
• Vitos , L . 2007 . Computational Quantum Mechanics for Materials Engineers , London : Springer-Verlag .
   Google Scholar
• Andersen , OK , Jepsen , O and Krier , G . 1994 . “ Exact muffin-tin orbital theory ” . In Lectures on Methods of Electronic Structure Calculations , Edited by: Kumar , V , Andersen , OK and Mookerjee , A . 63 Singapore : World Scientific .
   Google Scholar
• Soven , P . 1967 . Phys. Rev. , 156 : 809
   Web of Science ®Google Scholar
• Gyorffy , BL . 1972 . Phys. Rev. B , 5 : 2382
   Web of Science ®Google Scholar
• Vitos , L , Abrikosov , I and Johansson , B . 2001 . Phys. Rev. Lett. , 87 : 156401
   PubMed Web of Science ®Google Scholar
• Vitos , L , Korzhavyi , PA and Johansson , B . 2002 . Phys. Rev. Lett. , 88 : 155501
   PubMed Web of Science ®Google Scholar
• Dubrovinsky , L , Dubrovinskaia , N , Langenhorst , F , Dobson , D , Rubie , D , Gesmann , C , Abrikosov , I , Johansson , B , Baykov , V , Vitos , L , Bihan , TL , Crichton , W , Dmitriev , V and Weber , HP . 2003 . Nature , 422 : 58
   PubMed Web of Science ®Google Scholar
• Hu , Q , Kádas , K , Hogmark , S , Yang , R , Johansson , B and Vitos , L . 2007 . Appl. Phys. Lett. , 91 : 121918
   Web of Science ®Google Scholar
• Kádas , K , Vitos , L and Ahuja , R . 2008 . Appl. Phys. Lett. , 92 : 052505
   Web of Science ®Google Scholar
• Hu , QM , Kádas , K , Hogmark , S , Yang , R , Johansson , B and Vitos , L . 2008 . J. Appl. Phys. , 103 : 083505
   Web of Science ®Google Scholar
• Kádas , K , Lindquist , M , Erikssson , O , Johansson , B and Vitos , L . 2009 . Appl. Phys. Lett. , 94 : 172507
   Web of Science ®Google Scholar
• Sahlberg , M , Beran , P , Nielsen , TK , Cerenius , Y , Kádas , K , Punkkinen , MPJ , Vitos , L , Eriksson , O , Jensen , TR and Andersson , Y . 2009 . J. Solid State Chem. , 182 : 3113
   Web of Science ®Google Scholar
• Ahuja , BL , Arora , G , Ahmed , G , Rathor , A , Sharma , V , Kádas , K and Ahuja , R . 2009 . J. Alloys Comp. , 467 : 595
   Web of Science ®Google Scholar
• Oguchi , T , Terakura , K and Hamada , N . 1983 . J. Phys. F: Met. Phys. , 13 : 145
   Google Scholar
• Kádas , K , Vitos , L , Johansson , B and Kollár , J . 2007 . Phys. Rev. B , 75 : 035132
   Web of Science ®Google Scholar
• Moruzzi , V , Janak , J and Schwarz , K . 1988 . Phys. Rev. B , 37 : 790
   PubMed Web of Science ®Google Scholar
• Huang , L , Vitos , L , Kwon , SK , Johansson , B and Ahuja , R . 2006 . Phys. Rev. B , 73 : 104203
   Web of Science ®Google Scholar
• Hashin , Z and Shtrikman , S . 1962 . J. Mech. Phys. Solids , 10 : 343
   Web of Science ®Google Scholar
• Grimvall , G . 1999 . Thermophysical Properties of Materials , 70 Amsterdam : Elsevier–North-Holland .
   Google Scholar