메뉴 건너뛰기




Volumn 114, Issue 9, 2015, Pages

Impact of rattlers on thermal conductivity of a thermoelectric clathrate: A first-principles study

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL LATTICES; HYDRATES; PHASE SPACE METHODS; PHONONS; RELAXATION TIME;

EID: 84924371291     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.114.095501     Document Type: Article
Times cited : (235)

References (34)
  • 3
    • 0002852816 scopus 로고
    • in, edited by D.M. Rowe (CRC Press, Boca Raton, FL), pp.
    • G.A. Slack, in CRC Handbook of Thermoelectrics, edited by D.M. Rowe (CRC Press, Boca Raton, FL, 1995), pp. 407-440.
    • (1995) CRC Handbook of Thermoelectrics , pp. 407-440
    • Slack, A.G.1
  • 8
    • 4244113175 scopus 로고
    • PRLTAO 0031-9007
    • R.O. Pohl, Phys. Rev. Lett. 8, 481 (1962). PRLTAO 0031-9007 10.1103/PhysRevLett.8.481
    • (1962) Phys. Rev. Lett. , vol.8 , pp. 481
    • Pohl, O.R.1
  • 10
    • 84902121615 scopus 로고    scopus 로고
    • PRBMDO 1098-0121
    • W. Li and N. Mingo, Phys. Rev. B 89, 184304 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.89.184304
    • (2014) Phys. Rev. B , vol.89 , pp. 184304
    • Li, W.1    Mingo, N.2
  • 13
    • 60949083089 scopus 로고    scopus 로고
    • (Cambridge University Press, Cambridge, England)
    • M. Kaviany, Heat Transfer Physics (Cambridge University Press, Cambridge, England, 2008).
    • (2008) Heat Transfer Physics
    • Kaviany, M.1
  • 16
    • 33749364468 scopus 로고
    • PHRVAO 0031-899X
    • A.A. Maradudin and A.E. Fein, Phys. Rev. 128, 2589 (1962). PHRVAO 0031-899X 10.1103/PhysRev.128.2589
    • (1962) Phys. Rev. , vol.128 , pp. 2589
    • Maradudin A, A.1    Fein A, E.2
  • 20
    • 42649083997 scopus 로고    scopus 로고
    • PRBMDO 1098-0121
    • K. Esfarjani and H.T. Stokes, Phys. Rev. B 77, 144112 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.77.144112
    • (2008) Phys. Rev. B , vol.77 , pp. 144112
    • Esfarjani, K.1    Stokes H, T.2
  • 21
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO 0163-1829
    • G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 23
    • 25744460922 scopus 로고
    • PRBMDO 0163-1829
    • P.E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl P, E.1
  • 24
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 0163-1829
    • G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 25
    • 85000103792 scopus 로고    scopus 로고
    • See the Supplemental Material at for details of computational conditions, the procedure for calculating force constants of the empty clathrate (Equation presented), phonon dispersion relations along the high-symmetry lines in the Brillouin zone, and analyses of localized Ba motions by the participation ratio
    • See the Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevLett.114.095501 for details of computational conditions, the procedure for calculating force constants of the empty clathrate (Equation presented), phonon dispersion relations along the high-symmetry lines in the Brillouin zone, and analyses of localized Ba motions by the participation ratio.
  • 30
    • 84924385586 scopus 로고    scopus 로고
    • Here we compare the experimental and calculated (Equation presented) at 100 K where phonon-phonon scatterings dominate the phonon scattering probability and the bipolar contribution, which is noticeable in experimental (Equation presented) at higher temperature, is negligible
    • Here we compare the experimental and calculated (Equation presented) at 100 K where phonon-phonon scatterings dominate the phonon scattering probability and the bipolar contribution, which is noticeable in experimental (Equation presented) at higher temperature, is negligible.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.