The performance of infrared(IR)nonlinear optical(NLO)materials is significantly affected by the thermal conductivity kL,but studies on the structure and property relationship of kL in these materials are very rare.In ...The performance of infrared(IR)nonlinear optical(NLO)materials is significantly affected by the thermal conductivity kL,but studies on the structure and property relationship of kL in these materials are very rare.In this work we evaluated the k_(L) in IR NLO multicomponent chalcogenides Li_(x)Ag_(1-x)Ga_(y)In_(1-y)Se_(2) with a smooth change in the compositions x and y by using a machine learning approach and laser flash measurements,combined with available experimental results.The found patterns of kL dependence on the atomic mass,bond length and electronegativity provide an effective understanding for navigation in the process of searching for new chalcogenide crystals with an optimal set of parameters that allow them to be effectively used as a frequency converter of laser radiation in the IR range.Moreover,the compositions Li_(0.5)Ag_(0.5)GaSe_(2),Li_(0.81)Ag_(0.19)InSe_(2) and AgGa_(0.5)In_(0.5)Se_(2) are demonstrated to exhibit a balanced combination of the parameters kL,NLOeffects,energy band gaps,and birefringence for IR NLO applications.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.22133004)the Ministry of Education and Science of the Russian Federation,Grant FSUS-2025-0011(crystal structure analysis)partly by the state assignment of IGM SB RAS No.122041400031-2(crystal growth).
文摘The performance of infrared(IR)nonlinear optical(NLO)materials is significantly affected by the thermal conductivity kL,but studies on the structure and property relationship of kL in these materials are very rare.In this work we evaluated the k_(L) in IR NLO multicomponent chalcogenides Li_(x)Ag_(1-x)Ga_(y)In_(1-y)Se_(2) with a smooth change in the compositions x and y by using a machine learning approach and laser flash measurements,combined with available experimental results.The found patterns of kL dependence on the atomic mass,bond length and electronegativity provide an effective understanding for navigation in the process of searching for new chalcogenide crystals with an optimal set of parameters that allow them to be effectively used as a frequency converter of laser radiation in the IR range.Moreover,the compositions Li_(0.5)Ag_(0.5)GaSe_(2),Li_(0.81)Ag_(0.19)InSe_(2) and AgGa_(0.5)In_(0.5)Se_(2) are demonstrated to exhibit a balanced combination of the parameters kL,NLOeffects,energy band gaps,and birefringence for IR NLO applications.
