Mechanism of the rutile-to-CaCl2 phase transition: RuO2 and β-PtO2

Journal of Physics Condensed Matter

Volumn 12, Issue 30, 2000, Pages 6725-6734

  Wu, Ruqian ^a   Weber, W H ^b  

^a CALIFORNIA STATE UNIVERSITY   (United States)

^b FORD RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM COMPOUNDS; FERMI LEVEL; LATTICE CONSTANTS; PHASE TRANSITIONS; PHONONS; PLATINUM COMPOUNDS;

RUTHENIUM DIOXIDE;

RUTHENIUM COMPOUNDS;

EID: 0034224803     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/30/305     Document Type: Article

References (19)

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14. 2 based on the refinement by Range K-J et al 1987 Mater. Res. Bull. 22 1541 are a = 4.4839 Å, b = 4.5385 Å and c = 3.1360 Å with the O-Pt-O bond 8.1° away from the diagonal direction.
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16. 2 here is close to the previous results obtained with other approximate methods such as the LMTO one: Xu J H, Jarlborg T and Freeman A J 1989 Phys. Rev. B 40 7939 and that of pseudopotentials: Glassford K M and Chelikowsky J R 1993 Phys. Rev. B 47 1732 and also the LAPW one: Krasovska O V, Krasovskii E E and Antonov V N 1995 Phys. Rev. B 52 11 825
17. 2 here is close to the previous results obtained with other approximate methods such as the LMTO one: Xu J H, Jarlborg T and Freeman A J 1989 Phys. Rev. B 40 7939 and that of pseudopotentials: Glassford K M and Chelikowsky J R 1993 Phys. Rev. B 47 1732 and also the LAPW one: Krasovska O V, Krasovskii E E and Antonov V N 1995 Phys. Rev. B 52 11 825
18. 2 here is close to the previous results obtained with other approximate methods such as the LMTO one: Xu J H, Jarlborg T and Freeman A J 1989 Phys. Rev. B 40 7939 and that of pseudopotentials: Glassford K M and Chelikowsky J R 1993 Phys. Rev. B 47 1732 and also the LAPW one: Krasovska O V, Krasovskii E E and Antonov V N 1995 Phys. Rev. B 52 11 825
19. -1); see for example Hyde B G 1987 Z. Kristallogr. 179 205