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Volumn 517, Issue 2, 2008, Pages 824-827

Super hard cubic phases of period VI transition metal nitrides: First principles investigation

Author keywords

Coatings; Elastic properties; Hardness; Nitrides

Indexed keywords

COMPUTER OPERATING SYSTEMS; CUTTING TOOLS; ELECTRONIC PROPERTIES; FLUORSPAR; HAFNIUM; HARD COATINGS; HARDNESS; IRIDIUM; MANGANESE ALLOYS; MANGANESE COMPOUNDS; MECHANICAL PROPERTIES; MECHANICAL STABILITY; NITRIDES; OSMIUM; PLATING; PLATINUM; PLATINUM METALS; PYRITES; RHENIUM; TANTALUM; TANTALUM COMPOUNDS; TRANSITION METALS; ZINC;

EID: 55049102271     PISSN: 00406090     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tsf.2008.07.034     Document Type: Article
Times cited : (71)

References (47)
  • 20
    • 55049093068 scopus 로고    scopus 로고
    • G. Kresse, Thesis, Technische Universiät Wien 1993.
    • G. Kresse, Thesis, Technische Universiät Wien 1993.
  • 31
    • 55049104256 scopus 로고    scopus 로고
    • These energies give reliable trends for relative stabilities of different phases. However, these absolute theoretical values cannot be directly compared with experimentally measured cohesive energies.
    • These energies give reliable trends for relative stabilities of different phases. However, these absolute theoretical values cannot be directly compared with experimentally measured cohesive energies.
  • 32
    • 55049094901 scopus 로고    scopus 로고
    • The difference between our results and results of Fan [10,12] et al. is because of the differences in the methods of computations. Fan et al. used general gradient approximation (GGA) and the present work uses LDA. It is well known that LDA over estimates the bulk modulus slightly, underestimates the lattice constant and conversely GGA under estimates the bulk modulus and over estimates the lattice constant.
    • The difference between our results and results of Fan [10,12] et al. is because of the differences in the methods of computations. Fan et al. used general gradient approximation (GGA) and the present work uses LDA. It is well known that LDA over estimates the bulk modulus slightly, underestimates the lattice constant and conversely GGA under estimates the bulk modulus and over estimates the lattice constant.
  • 41
    • 55049093679 scopus 로고    scopus 로고
    • None of the stable zinc-blende phases were found to be suitable for hard coating applications.
    • None of the stable zinc-blende phases were found to be suitable for hard coating applications.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.