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Indirect to direct band gap crossover in two-dimensional WS 2(1−x) Se 2x alloys
npj 2D Materials and Applications ( IF 9.1 ) Pub Date : 2021-01-05 , DOI: 10.1038/s41699-020-00187-9
Cyrine Ernandes , Lama Khalil , Hela Almabrouk , Debora Pierucci , Biyuan Zheng , José Avila , Pavel Dudin , Julien Chaste , Fabrice Oehler , Marco Pala , Federico Bisti , Thibault Brulé , Emmanuel Lhuillier , Anlian Pan , Abdelkarim Ouerghi

In atomically thin transition metal dichalcogenide semiconductors, there is a crossover from indirect to direct band gap as the thickness drops to one monolayer, which comes with a fast increase of the photoluminescence signal. Here, we show that for different alloy compositions of WS2(1−x)Se2x this trend may be significantly affected by the alloy content and we demonstrate that the sample with the highest Se ratio presents a strongly reduced effect. The highest micro-PL intensity is found for bilayer WS2(1−x)Se2x (x = 0.8) with a decrease of its maximum value by only a factor of 2 when passing from mono-layer to bi-layer. To better understand this factor and explore the layer-dependent band structure evolution of WS2(1−x)Se2x, we performed a nano-angle-resolved photoemission spectroscopy study coupled with first-principles calculations. We find that the high micro-PL value for bilayer WS2(1−x)Se2x (x = 0.8) is due to the overlay of direct and indirect optical transitions. This peculiar high PL intensity in WS2(1−x)Se2x opens the way for spectrally tunable light-emitting devices.



中文翻译:

二维WS 2(1-x)Se 2x合金的间接至直接带隙交叉

在原子薄的过渡金属二卤化半导体中,随着厚度下降到一个单层,存在从间接带隙到直接带隙的交叉,这伴随着光致发光信号的快速增加。在这里,我们表明,对于WS 2(1- x Se 2 x的不同合金成分,这种趋势可能会受到合金含量的显着影响,并且我们证明了具有最高Se比的样品表现出强烈的降低效果。发现双层WS 2(1- x Se 2 xx = 0.8),从单层到双层时,最大值仅减少2倍。为了更好地理解这一因素并探索WS 2(1- x Se 2 x的层依赖性能带结构演化,我们进行了纳米角分辨光发射光谱研究,并结合了第一性原理计算。我们发现双层WS 2(1- x Se 2 xx  = 0.8)的高micro-PL值是由于直接和间接光学跃迁的叠加所致。WS 2(1- x Se 2 x中这种特殊的高PL强度 为光谱可调的发光设备开辟了道路。

更新日期:2021-01-05
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