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Volumn 70, Issue 22, 2004, Pages

Properties of Pb(Zr,Ti)O3 ultrathin films under stress-free and open-circuit electrical boundary conditions

Author keywords

[No Author keywords available]

Indexed keywords

LEAD OXIDE; TITANIUM DIOXIDE; ZIRCONIUM OXIDE;

EID: 13844266045     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.220102     Document Type: Article
Times cited : (41)

References (29)
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    • R. E. Cohen, J. Phys. Chem. 57, 1393 (1996); Ferroelectrics 194, 323 (1997).
    • (1996) J. Phys. Chem. , vol.57 , pp. 1393
    • Cohen, R.E.1
  • 10
    • 0030609274 scopus 로고    scopus 로고
    • R. E. Cohen, J. Phys. Chem. 57, 1393 (1996); Ferroelectrics 194, 323 (1997).
    • (1997) Ferroelectrics , vol.194 , pp. 323
  • 14
    • 0000255502 scopus 로고    scopus 로고
    • L. Bellaiche, A. García, and D. Vanderbilt, Phys. Rev. Lett. 84, 5427 (2000); Ferroelectrics 266, 41 (2002).
    • (2002) Ferroelectrics , vol.266 , pp. 41
  • 22
    • 13844302778 scopus 로고    scopus 로고
    • note
    • We obtained P = +0.0144, T = +0.00693, and S = -0.00405 in atomic units. These values were numerically found to be independent on the lateral size, as well as on the number of vacuum layers, of the supercells used within the approach of Eq. (1) to fit the first-principles calculations on the 17-atom slab. We also assume that these parameters are composition-independent since none of them is associated with the local-mode self-energy [which is the energy that is rather sensitive to concentration in PZT bulks (Ref. 12)].
  • 23
    • 85088489016 scopus 로고    scopus 로고
    • note
    • 3-like compounds.
  • 25
    • 85088493066 scopus 로고    scopus 로고
    • note
    • 3 bulk is forced to match the experimental value of 642 K (Ref. 24).
  • 27
    • 85088489824 scopus 로고    scopus 로고
    • note
    • z〉 is slightly negative, when all the parameters of Eq. (1) are turned on. For the sake of simplicity, we neglect such small value in the discussion.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.