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Volumn 90, Issue 13, 2014, Pages

Electronic and bonding analysis of hardness in pyrite-type transition-metal pernitrides

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EID: 84908042673     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.90.134102     Document Type: Article
Times cited : (134)

References (71)
  • 24
  • 40
    • 0042113153 scopus 로고
    • W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. A1133
    • Kohn, W.1    Sham, L.J.2
  • 41
    • 25744460922 scopus 로고
    • P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 45
    • 84908045501 scopus 로고    scopus 로고
    • (accessed May 3)
    • The PAW and US-PP database, http://cms.mpi.univie.ac.at/vasp-workshop/slides/pseudoppdatabase.pdf (accessed May 3, 2014).
    • (2014) The PAW and US-PP database
  • 48
    • 36149027186 scopus 로고
    • F. Birch, Phys. Rev. 71, 809 (1947). 10.1103/PhysRev.71.809
    • (1947) Phys. Rev. , vol.71 , pp. 809
    • Birch, F.1
  • 60
    • 84908045500 scopus 로고    scopus 로고
    • Bader Charge Analysis, (accessed May 3).
    • Bader Charge Analysis, http://theory.cm.utexas.edu/bader/ (accessed May 3, 2014).
    • (2014)
  • 64
    • 84908045499 scopus 로고    scopus 로고
    • Using the Bader analysis with the vasp code, (accessed May 3).
    • Using the Bader analysis with the vasp code, http://theory.cm.utexas.edu/bader/vasp.php (accessed May 3, 2014).
    • (2014)
  • 71
    • 84908045498 scopus 로고    scopus 로고
    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevB.90.134102 for DOS figures of (Equation presented), (Equation presented). DOS figures of Group 4 and Group 10 pernitrides are also available with a short discussion of the transition between metallic and nonmetallic phases.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.