| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 |
| atk:声子振动模式分析 [2016/12/07 12:10] – [计算设置] dong.dong | atk:声子振动模式分析 [2018/03/20 22:16] (当前版本) – liu.jun |
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| <WRAP center info 100%> | <WRAP center info 100%> |
| ===注意=== | === 提示 === |
| | **本教程使用特定版本的QuantumATK创建，因此涉及的截图和脚本参数可能与您实际使用的版本略有区别，请在学习时务必注意。** |
| | </WRAP> |
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| | <WRAP center info 100%> |
| | ===提示=== |
| 振动性质的计算需要构型中的动力学矩阵（**dynamical matrix**），它描述了原子脱离平衡位置时的力响应。 | 振动性质的计算需要构型中的动力学矩阵（**dynamical matrix**），它描述了原子脱离平衡位置时的力响应。 |
| </WRAP> | </WRAP> |
| ===== 参考文献 ===== | ===== 参考文献 ===== |
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| [DH14] (1, 2) Bruce L. Davis and Mahmoud I. Hussein. Nanophononic metamaterial: Thermal conductivity reduction by local resonance. Phys. Rev. Lett., 112:055505, Feb 2014. doi:10.1103/PhysRevLett.112.055505. | * [DH14] (1, 2) Bruce L. Davis and Mahmoud I. Hussein. Nanophononic metamaterial: Thermal conductivity reduction by local resonance. Phys. Rev. Lett., 112:055505, Feb 2014. doi:10.1103/PhysRevLett.112.055505. |
| | * [GAZW+13] Mahdi Ghorbani-Asl, Nourdine Zibouche, Mohammad Wahiduzzaman, Augusto F. Oliveira, Agnieszka Kuc, and Thomas Heine. Electromechanics in mos2 and ws2: nanotubes vs. monolayers. Scientific Reports, 2013. doi:10.1038/srep02961. |
| [GAZW+13] Mahdi Ghorbani-Asl, Nourdine Zibouche, Mohammad Wahiduzzaman, Augusto F. Oliveira, Agnieszka Kuc, and Thomas Heine. Electromechanics in mos2 and ws2: nanotubes vs. monolayers. Scientific Reports, 2013. doi:10.1038/srep02961. | * [JPR13] Jin-Wu Jiang, Harold S. Park, and Timon Rabczuk. Molecular dynamics simulations of single-layer molybdenum |
| | * disulphide (mos2): Stillinger-weber parametrization, mechanical properties, and thermal conductivity. Journal of Applied Physics, 114(6):–, 2013. doi:10.1063/1.4818414. |
| [JPR13] Jin-Wu Jiang, Harold S. Park, and Timon Rabczuk. Molecular dynamics simulations of single-layer molybdenum | * [JPR14] (1, 2) Jin-Wu Jiang, Harold S. Park, and Timon Rabczuk. Mos2 nanoresonators: intrinsically better than graphene? Nanoscale, 6:3618–3625, 2014. doi:10.1039/C3NR05991J. |
| disulphide (mos2): Stillinger-weber parametrization, mechanical properties, and thermal conductivity. Journal of Applied Physics, 114(6):–, 2013. doi:10.1063/1.4818414. | * [YSB+14] Rusen Yan, Jeffrey R. Simpson, Simone Bertolazzi, Jacopo Brivio, Michael Watson, Xufei Wu, Andras Kis, Tengfei Luo, Angela R. Hight Walker, and Huili Grace Xing. Thermal conductivity of monolayer molybdenum disulfide obtained from temperature-dependent raman spectroscopy. ACS Nano, 8(1):986–993, 2014. doi:10.1021/nn405826k. |
| | * 原文：http://docs.quantumwise.com/tutorials/vibrational_modes.html |
| [JPR14] (1, 2) Jin-Wu Jiang, Harold S. Park, and Timon Rabczuk. Mos2 nanoresonators: intrinsically better than graphene? Nanoscale, 6:3618–3625, 2014. doi:10.1039/C3NR05991J. | * 本文翻译：王吉章 |
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| [YSB+14] Rusen Yan, Jeffrey R. Simpson, Simone Bertolazzi, Jacopo Brivio, Michael Watson, Xufei Wu, Andras Kis, Tengfei Luo, Angela R. Hight Walker, and Huili Grace Xing. Thermal conductivity of monolayer molybdenum disulfide obtained from temperature-dependent raman spectroscopy. ACS Nano, 8(1):986–993, 2014. doi:10.1021/nn405826k. | |
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| 本文翻译：王吉章 | |
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