| 铜基底上外延生长金刚石薄膜的密度泛函理论研究 |
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| 引用本文： | 任广斌,郭庆龙,秦湘阁,王志林.铜基底上外延生长金刚石薄膜的密度泛函理论研究[J].佳木斯大学学报,2009,27(5):715-717. |
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| 作者姓名： | 任广斌 郭庆龙 秦湘阁 王志林 |
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| 作者单位： | 佳木斯大学理学院;佳木斯大学材料科学与工程学院; |
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| 基金项目： | 黑龙江省教育厅科学技术研究项目(11541350);;黑龙江省2009研究生创新资金项目(YJSCX2009-108HLJ) |
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| 摘 要： | 基于密度泛函理论对铜上外延生长的金刚石薄膜的几何结构及其能量特征进行了计算,计算结果表明外延生长金刚石薄膜的几何参数与体金刚石的几何参数相似(特别是(111)面);在铜多晶基体的<111>方向更有利于金刚石薄膜的外延生长.
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| 关 键 词： | 金刚石薄膜 密度泛函 外延生长 |
Density Functional Theory Study of Diamond Epitaxial Growth on Copper |
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| REN Guang-bin,GUO Qing-long,QIN Xiang-ge,WANG Zhi-lin.Density Functional Theory Study of Diamond Epitaxial Growth on Copper[J].Journal of Jiamusi University(Natural Science Edition),2009,27(5):715-717. |
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| Authors: | REN Guang-bin GUO Qing-long QIN Xiang-ge WANG Zhi-lin |
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| Institution: | 1.College of Natural Science;Jiamusi University;Jiamusi 154007;China;2.College of Materials Science and Engineering;China |
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| Abstract: | Based on the density functional theory,geometry and energy peculiarities of diamond epitaxy on copper were performed to calculate.The results show that the geometry parameters for epitaxial diamond films are in satisfactory accordance with those for bulk diamond(especially for the(111) case).Diamond microcrystallites grown on the copper polycrystalline substrates have the <111> orientation mainly. |
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| Keywords: | diamond film density functional theory heteroepitaxy |
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