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Volumn 74, Issue 1, 2006, Pages

Ab initio pressure-dependent vibrational and dielectric properties of CeO2

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EID: 33746265243     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.014302     Document Type: Article
Times cited : (57)

References (43)
  • 6
    • 0001615290 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.36.1238
    • F. Marabelli and P. Wachter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.36.1238 36, 1238 (1987).
    • (1987) Phys. Rev. B , vol.36 , pp. 1238
    • Marabelli, F.1    Wachter, P.2
  • 8
    • 0006661756 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1680227
    • V. G. Keramidas and W. B. White, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1680227 59, 1561 (1973).
    • (1973) J. Chem. Phys. , vol.59 , pp. 1561
    • Keramidas, V.G.1    White, W.B.2
  • 9
    • 0000681004 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.48.178
    • W. H. Weber, K. C. Hass, and J. R. McBride, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.178 48, 178 (1993).
    • (1993) Phys. Rev. B , vol.48 , pp. 178
    • Weber, W.H.1    Hass, K.C.2    McBride, J.R.3
  • 10
    • 0000777027 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.13297
    • A. Nakajima, A. Yoshihara, and M. Ishigame, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.13297 50, 13297 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 13297
    • Nakajima, A.1    Yoshihara, A.2    Ishigame, M.3
  • 11
    • 0031212337 scopus 로고    scopus 로고
    • THSFAP 0040-6090 10.1016/S0040-6090(97)00081-3
    • S. Kanakaraju, S. Mohan, and A. K. Sood, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(97)00081-3 305, 191 (1997).
    • (1997) Thin Solid Films , vol.305 , pp. 191
    • Kanakaraju, S.1    Mohan, S.2    Sood, A.K.3
  • 19
    • 0011460774 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.1333720
    • S. Rekhi, S. K. Saxena, and P. Lazor, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1333720 89, 2968 (2001).
    • (2001) J. Appl. Phys. , vol.89 , pp. 2968
    • Rekhi, S.1    Saxena, S.K.2    Lazor, P.3
  • 21
    • 0007792002 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.26.2257
    • T. Sato and S. Tateyama, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.2257 26, 2257 (1982).
    • (1982) Phys. Rev. B , vol.26 , pp. 2257
    • Sato, T.1    Tateyama, S.2
  • 26
    • 33746207528 scopus 로고    scopus 로고
    • http://www.abinit.org
  • 27
  • 28
    • 33746207463 scopus 로고    scopus 로고
    • We have tested Trouilier-Martins type norm-conserving pseudopotentials (PSPNC) and its Fritz Haber Institute (FHI) variants. Although the lattice constants were found to be in reasonable agreement with the experimental values, the calculated bulk modulus was more than ≈30% higher than the experimental one.
    • We have tested Trouilier-Martins type norm-conserving pseudopotentials (PSPNC) and its Fritz Haber Institute (FHI) variants. Although the lattice constants were found to be in reasonable agreement with the experimental values, the calculated bulk modulus was more than ≈30% higher than the experimental one.
  • 29
    • 33746207527 scopus 로고    scopus 로고
    • The actual PSPNC pseudopotential files used are available at
    • The actual PSPNC pseudopotential files used are available at www.abinit.org/Psps/?text=../Psps/LDA_TM/lda
  • 30
    • 33746234487 scopus 로고    scopus 로고
    • The actual FHI pseudopotential files used are available at
    • The actual FHI pseudopotential files used are available at www.abinit.org/Psps/?text=../Psps/LDA_FHI/fhi
  • 31
    • 1842816907 scopus 로고
    • PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 33
    • 0001084315 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.55.10337
    • X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.10337 55, 10337 (1997).
    • (1997) Phys. Rev. B , vol.55 , pp. 10337
    • Gonze, X.1
  • 34
  • 35
    • 0001096933 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.55.10355
    • X. Gonze and C. Lee, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55. 10355 55, 10355 (1997).
    • (1997) Phys. Rev. B , vol.55 , pp. 10355
    • Gonze, X.1    Lee, C.2
  • 37
    • 0036695278 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.66.052104
    • R. Gaudoin and W. M. C. Foulkes, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.052104 66, 052104 (2002).
    • (2002) Phys. Rev. B , vol.66 , pp. 052104
    • Gaudoin, R.1    Foulkes, W.M.C.2
  • 41
    • 85038986810 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.68.195123
    • M. Verstraete and X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.195123 68, 195123 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 195123
    • Verstraete, M.1    Gonze, X.2
  • 42
    • 15844378774 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.68.144301
    • K. Schmalzl, D. Strauch, and H. Schober, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.144301 68, 144301 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 144301
    • Schmalzl, K.1    Strauch, D.2    Schober, H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.