A new crystal structure and physical properties of technetium nitride predicted from first principle

来源 :第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna | 被引量 : 0次 | 上传用户：ssfdlah

【摘要】

：

Using the first-principles particle swarm optimization algorithm for crystal structural prediction,we have predicted a new crystal structure of TcN with P42/m phase.

【作者】

：

Yan-Fei Hu Guang-Fu Ji

【机构】

：

National Key Laboratory for Shock Wave and Detonation Physics Research,Institute of Fluid Physics,Ch

【出处】

：

第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna

【发表日期】

：

2017年10期

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　　Using the first-principles particle swarm optimization algorithm for crystal structural prediction,we have predicted a new crystal structure of TcN with P42/m phase.

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A new crystal structure and physical properties of technetium nitride predicted from first principle

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