Excellent optoelectronic and thermoelectric properties of two-dimensional transition metal dinitride HfN2

被引：4
作者：
Betal, Atanu [1 ]
Alam, Mahfooz [2 ]
Bera, Jayanta [1 ]
Meghnani, Hitesh [2 ]
Gandi, Appala Naidu [2 ]
Sahu, Satyajit [1 ]
机构：
[1] Indian Inst Technol Jodhpur, Dept Phys, Jodhpur 342037, India
[2] Indian Inst Technol Jodhpur, Dept Mat & Met Engn, Jodhpur 342037, India
来源：
PHYSICA B-CONDENSED MATTER | 2023年 / 649卷
关键词：
TOTAL-ENERGY CALCULATIONS; THERMAL-CONDUCTIVITY; MONOLAYER; MOS2; GAS; ENHANCEMENT; GRAPHENE; STRAIN;
D O I：
10.1016/j.physb.2022.414505
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Optoelectronic and thermoelectric properties of two-dimensional (2D) transition metal dinitride (HfN2) have been studied using first-principles calculations. Monolayer and bilayer HfN2 transport properties were calculated by solving the transport equations for electrons and phonons. The highest calculated ZT value for the bilayer HfN2 was 0.85 at 900 K in the negative chemical potential region. This high value of the figure of merit suggests that the material would be an excellent choice for thermoelectric energy harvesting devices. The optical property of the material suggests that it is a very good absorber in the ultraviolet (UV) region; thus, it can also be used as a UV-photodetector and as an absorber layer in photovoltaic devices.
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页数：8
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