| TiNx系统的电子结构及所关联的光学性质 |
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| 引用本文： | 张志鹏,李书平,林海,沈耀文. TiNx系统的电子结构及所关联的光学性质[J]. 量子电子学报, 2003, 20(1): 109-113 |
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| 作者姓名： | 张志鹏 李书平 林海 沈耀文 |
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| 作者单位： | 厦门大学物理系,厦门,361005;厦门大学物理系,厦门,361005;厦门大学物理系,厦门,361005;厦门大学物理系,厦门,361005 |
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| 基金项目： | 福建省自然科学基金(F99031)资助项目. |
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| 摘 要： | 本文使用LMTO－ASA能带方法和超原胞方法计算了Ti-N系统中三个稳定相（α-Ti，ε-Ti2N和δ-TiN)的电子结构，然后通过将这三个稳定相作为样本并借助于统计超原胞方法。本文全面计算了TiNx系统的电子结构。在这基础上，我们又进一步计算了TiNx系统的联合态密谋，并利用所得结果初步探讨了TiNx系统的光学性质。通过与金的联合态密度的比较，我们得到了当组分x在0.4至0.6范围内，TiNx镀膜表观上可呈现金黄色。
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| 关 键 词： | TiNx系统 电子结构 光学性质 |
| 文章编号： | 1007-5461(2003)01-0109-05 |
| 收稿时间： | 2002-04-19 |
| 修稿时间： | 2002-04-19 |
Electronic Structures and Their Correlation with Optical Properties for TiNx System |
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| Zhang Zhipeng,Li Shuping,Lin Hai,Shen Yaowen. Electronic Structures and Their Correlation with Optical Properties for TiNx System[J]. Chinese Journal of Quantum Electronics, 2003, 20(1): 109-113 |
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| Authors: | Zhang Zhipeng Li Shuping Lin Hai Shen Yaowen |
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| Abstract: | By means of LMTO-ASA method and the supercell approach, we have calculated the electronic structures of the three stable phases in Ti-N system, i.e., α-Ti, ε-Ti2N and δ-TiN. Then, we chose these stable phases as the samples of the Ti-N system and used the statistical supercell method to calculate the electronic structures of TiNx system. Furthermore, the joint density of states for TiNx system have been calculated and the results have been utilized to investigate the optical properties of TiNx system. In comparison with the joint density of states for gold, we found that the TiNx films present golden colour in the range of x from 0.4 to 0.6. |
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| Keywords: | TiNx system electronic structures optical properties |
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