The electronic, optical and bonding properties of MgCO 3 (magnesite, rhombohedral calcite-type structure) are calculated using a first-principles density-functional theory (DFT) method considering the exchange-correlation function within the local density approximation (LDA) and the generalized grad
β¦ LIBER β¦
Theoretical calculations of mechanical, electronic, chemical bonding and optical properties of delafossite CuAlO2
β Scribed by Qi-Jun Liu; Zheng-Tang Liu; Li-Ping Feng
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 678 KB
- Volume
- 405
- Category
- Article
- ISSN
- 0921-4526
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