Surface properties of titanium nitride: A first-principles study

Solid State Communications

Volumn 150, Issue 29-30, 2010, Pages 1370-1374

  Wang, Chao ^a   Dai, Yongbing ^a   Gao, Haiyan ^a   Ruan, Xiaoming ^b   Wang, Jun ^a   Sun, Baode ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

^b BAOSHAN IRON AND STEEL CO LTD   (China)

Author keywords

Electronic structure; First principles calculations; Titanium nitride

Indexed keywords

FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES STUDY; HIGH-NITROGEN; LOW-INDEX SURFACES; RELAXATION EFFECT; THREE-LAYER;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; SURFACE PROPERTIES; TITANIUM;

TITANIUM NITRIDE;

EID: 77954217735     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2010.04.034     Document Type: Article

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