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First-principle calculations of structural, electronic and optical properties of BaHfxTi1−xO3

✍ Scribed by Xinyin Zhao; Yuehua Wang; Qiong Chen; Min Zhang; Na Zhao


Book ID
116376126
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
523 KB
Volume
54
Category
Article
ISSN
0927-0256

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First-principle calculations on the electronic structures and magnetic properties of Na doped in CuInSe 2 with different percentages reveal that the parameters and band gap increase with increasing Na. It reveals that the band gap increases 0.114 eV for 1/8 Cu replaced by Na, which exists in good ag