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2018 Volume 35 Issue 8
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Ning Liu, Xiaolong Chen, Jiangang Guo, Jun Deng, Liwei Guo. 2018: New Type of Nitrides with High Electrical and Thermal Conductivities, Chinese Physics Letters, 35(8): 70-73. doi: 10.1088/0256-307X/35/8/087102
Citation: Ning Liu, Xiaolong Chen, Jiangang Guo, Jun Deng, Liwei Guo. 2018: New Type of Nitrides with High Electrical and Thermal Conductivities, Chinese Physics Letters, 35(8): 70-73. doi: 10.1088/0256-307X/35/8/087102
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New Type of Nitrides with High Electrical and Thermal Conductivities

  • Research & Development Center for Functional Crystals, Laboratory of Advanced Materials & Electron Microscopy, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190;University of Chinese Academy of Sciences, Beijing 100049

  • Research & Development Center for Functional Crystals, Laboratory of Advanced Materials & Electron Microscopy, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190;University of Chinese Academy of Sciences, Beijing 100049;Collaborative Innovation Center of Quantum Matter, Beijing 100084

  • Research & Development Center for Functional Crystals, Laboratory of Advanced Materials & Electron Microscopy, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190

  • Available Online: 01/01/2018
  • Fund Project: the National Natural Science Foundation of China under Grant Nos 51532010,91422303,51672306 and 51772322,the National Key Research and Development Program of China under Grant No 2016YFA0300604,the Beijing Municipal Science & Technology Commission under Grant No Z161100002116018,and the Strategic Priority Research Program of the Chinese Academy of Sciences under Grant No XDB07020100
  • The nitrogen dimer as both a fundamental building unit in designing a new type of nitrides,and a material gene associated with high electrical and thermal conductivities is investigated by first principles calculations.The results indicate that the predicted SiN4 is structurally stable and reasonably energy-favored with a striking feature in its band structure that exhibits free electron-like energy dispersions.It possesses a high electrical conductivity (5.07 × 105 S/cm) and a high thermal conductivity (371 W/m·K) comparable to copper.The validity is tested by isostructural AlN4 and SiC4.It is demonstrated that the nitrogen dimers can supply a high density of delocalized electrons in this new type of nitrides.
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New Type of Nitrides with High Electrical and Thermal Conductivities

  • Available Online: 01/01/2018

Abstract: The nitrogen dimer as both a fundamental building unit in designing a new type of nitrides,and a material gene associated with high electrical and thermal conductivities is investigated by first principles calculations.The results indicate that the predicted SiN4 is structurally stable and reasonably energy-favored with a striking feature in its band structure that exhibits free electron-like energy dispersions.It possesses a high electrical conductivity (5.07 × 105 S/cm) and a high thermal conductivity (371 W/m·K) comparable to copper.The validity is tested by isostructural AlN4 and SiC4.It is demonstrated that the nitrogen dimers can supply a high density of delocalized electrons in this new type of nitrides.

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