Electronic Structure of High-pressure Alumina Polymorphs

Chin. Phys. Lett.

2000, Vol. 17

Issue (6): 441-443 DOI:

Original Articles

Electronic Structure of High-pressure Alumina Polymorphs

LIU Xiao-Lei;DUAN Wen-Hui;GU Bing-Lin

Department of Physics, Tsinghua University, Beijing 100084

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LIU Xiao-Lei, DUAN Wen-Hui, GU Bing-Lin 2000 Chin. Phys. Lett. 17 441-443

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Abstract Electronic properties are investigated for three alumina polymorphs (corundum, Rh₂O₃ (II) and Pbnm perovskite), which are predicted as the stable structures under different pressure range, by means of the first-principles molecular dynamics method within local density functional framework. The similarity in electronic properties of the polymorphs of alumina is observed. The effect of possible phase transitions on ruby (Cr⁺³-doped Al₂O₃) fluorescences is discussed.

Keywords: 71.15.Pd 81.40. Vw 62.50.+p

Published: 01 June 2000

PACS:	71.15.Pd	(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
	81.40. Vw
	62.50.+p

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2000/V17/I6/0441

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