Title: Electron-phonon coupling and hot electron thermalization in titanium nitride Show Chinese title

Title: 钛氮化物中的电子-声子耦合和热电子弛豫

Abstract: We have studied the thermalization of hot carriers in both pristine and defective titanium nitride (TiN) using a two-temperature model. All parameters of this model, including the electron-phonon coupling parameter, were obtained from first-principles density-functional theory calculations. The virtual crystal approximation was used to describe defective systems. We find that thermalization of hot carriers occurs on much faster time scales than in gold as a consequence of the significantly stronger electron-phonon coupling in TiN. Specifically, the largest thermalization times, on the order of 200 femtoseconds, are found in TiN with nitrogen vacancies for electron temperatures around 4000 K. Show Chinese abstract

Abstract: 我们使用双温度模型研究了纯钛氮化物（TiN）和缺陷钛氮化物中热载流子的热化过程。 该模型的所有参数，包括电子-声子耦合参数，均来自第一性原理密度泛函理论计算。 虚拟晶体近似用于描述缺陷体系。 我们发现，由于TiN中电子-声子耦合显著增强，热载流子的热化发生在比金快得多的时间尺度上。 具体而言，在氮空位的TiN中，电子温度约为4000 K时，最大的热化时间在200飞秒量级。