First principles study of structure, electronic and optical properties of Y3Fe5O12 in cubic and trigonal phases

• Autorzy: Shen T. , Hu C. , Dai H. , Yang W. , Liu H. , Wei X.

Identyfikatory

DOI

10.1515/msp-2015-0015

• Języki publikacji: EN

Abstrakty

EN

First principles calculations have been performed to investigate the structure, electronic and optical properties of Y₃Fe₅O₁₂. Both the cubic and trigonal phases have been considered in our calculation. The calculated structural parameters are slightly larger than the experimental values. The band structures show that Y₃Fe₅O₁₂ in cubic and trigonal phases have direct band gaps of 0.65 and 0.17 eV. The calculations of dielectric function, absorption, extinction coefficient, refractive index, energy loss function and reflectivity are presented.

Słowa kluczowe

EN

Y3Fe5O12; first principles; electronic structure; optical properties

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2015
• Tom: Vol. 33, No. 1
• Strony: 169--174
• Opis fizyczny: Bibliogr. 25 poz., rys., tab.

Twórcy

autor

Shen T.

• College of Applied Sciences, Harbin University of Science and Technology, Harbin 150080, China

autor

Hu C.

• College of Applied Sciences, Harbin University of Science and Technology, Harbin 150080, China

autor

Dai H.

• College of Applied Sciences, Harbin University of Science and Technology, Harbin 150080, China

autor

Yang W.

• College of Applied Sciences, Harbin University of Science and Technology, Harbin 150080, China

autor

Liu H.

• School of Electrical Engineering and Automation, Harbin Institute of Technology, Harbin 150001, China

autor

Wei X.

• Key Laboratory of Engineering Dielectrics and Its Application, Ministry of Education, Harbin University of Science and Technology, Harbin 150080, China

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