First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 377, Issue 3-4, 2013, Pages 347-350

  Qiu, Huanhuan ^a   Wang, Zhijun ^a   Sheng, Xianlei ^a  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

First principles calculation; Graphitic hydrogenated carbon nitride; Half metallicity

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; HYDROGENATION;

FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; HALF-METALLIC; HALF-METALLIC PROPERTIES; HALF-METALLICITY; HYDROGENATED CARBON; NONMAGNETICS; VIA FIRST;

CARBON NITRIDE;

EID: 84870983732     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2012.11.050     Document Type: Article

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