Microscopic many-body models based on inputs from first-principles density functional theory are used to calculate the carrier losses due to free carrier Auger–Meitner recombination (AMR) processes in Mo- and W-based monolayer transition metal dichalcogenides as a function of the carrier density, temperature, and dielectric environment. Despite the exceptional strength of Coulomb interaction in the two-dimensional materials, the AMR losses are found to be similar in magnitude to those in conventional III–V-based quantum wells for the same wavelengths. Unlike the case in III–V materials, the losses show nontrivial density dependencies due to the fact that bandgap renormalizations on the order of hundreds of millielectronvolts can bring higher bands into or out of resonance with the optimal energy level for the AMR transition, approximately one bandgap from the lowest band. Similar nontrivial behaviors are found for the dependencies of AMR on the temperature and dielectric screening.

中文翻译：

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单层过渡金属二硫化物中的自由载流子 Auger-Meitner 复合


基于第一性原理密度泛函理论输入的微观多体模型用于计算 Mo 和 W 基单层过渡金属二硫化物中自由载流子 Auger-Meitner 复合 （AMR） 过程引起的载流子损耗，作为载流子密度、温度和介电环境的函数。尽管二维材料中的库仑相互作用具有非凡的强度，但发现 AMR 损耗在幅度上与传统的基于 III-V 的量子阱在相同波长下相似。与 III-V 材料的情况不同，损耗显示出非平凡的密度依赖性，因为数百毫伏特量级的带隙重整化可以将更高的能带带入或退出共振，并与 AMR 跃迁的最佳能级相距最低能段大约一个带隙。对于 AMR 对温度和介电屏蔽的依赖性，也发现了类似的非平凡行为。