Electronic structure and optical properties of rutile RuO2 from first principles

Chinese Physics B

Volumn 19, Issue 7, 2010, Pages

  Yang, Ze Jin ^b   Guo, Yun Dong ^a   Li, Jin ^b,c   Liu, Jin Chao ^b   Dai, Wei ^b,d   Cheng, Xin Lu ^b   Yang, Xiang Dong ^b  

^a NEIJIANG NORMAL UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

^c HAINAN UNIVERSITY   (China)

^d RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Electronic structure; First principle; Optical property; Rutile RuO2

Indexed keywords

ABSORPTION COEFFICIENTS; BONDING NATURE; BULK MODULUS; COMPLEX DIELECTRIC CONSTANT; DENSITY FUNCTIONAL THEORY METHODS; ELECTRON ENERGY LOSS; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; EQUILIBRIUM STRUCTURES; EXCHANGE-CORRELATION POTENTIAL; EXPERIMENTAL DATA; FIRST-PRINCIPLES; GRADIENT APPROXIMATION; IMAGINARY PARTS; KRAMERS-KRONIG ANALYSIS; LOW ENERGIES; METALLIC BONDS; PLANE WAVE; PSEUDO-GAP; PSEUDOPOTENTIALS; RUTILE RUO2; SPECTRAL DEPENDENCES; THEORETICAL CALCULATIONS; THEORETICAL RESULT;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY DISSIPATION; OXIDE MINERALS; PERMITTIVITY; REFLECTION; REFRACTIVE INDEX; RUTHENIUM ALLOYS; RUTHENIUM COMPOUNDS;

STRUCTURAL PROPERTIES;

EID: 78649275828     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/19/7/077102     Document Type: Article

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