2022
DOI: 10.1016/j.commatsci.2021.111041
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Ab-initio investigation of Er3+ defects in tungsten disulfide

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Cited by 4 publications
(3 citation statements)
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“…Although we did not include the effect of spin-orbit coupling (SOC), we obtained good agreement with Bai et al's experiments on Er-doped MoS 2 thin films using CVD growth 11 and wafer-scale layered Yb/Er co-doped WSe 2 . 12 Similar results have been found by López-Morales et al 13 One of our motivations was to find out whether some of the LIS of Er lie within the band gap of SL WS 2 . We were able to show that this is indeed the case.…”
Section: Introductionsupporting
confidence: 83%
“…Although we did not include the effect of spin-orbit coupling (SOC), we obtained good agreement with Bai et al's experiments on Er-doped MoS 2 thin films using CVD growth 11 and wafer-scale layered Yb/Er co-doped WSe 2 . 12 Similar results have been found by López-Morales et al 13 One of our motivations was to find out whether some of the LIS of Er lie within the band gap of SL WS 2 . We were able to show that this is indeed the case.…”
Section: Introductionsupporting
confidence: 83%
“…During the preparation of this manuscript we learned of similar ab-initio calculations for electronic and optical properties of Er W defects in WS 2 using VASP. 26 While VASP is based on plane-wave basis sets, ATK is based on atomic orbital basis sets. That is why there are differences in the results.…”
Section: Discussionmentioning
confidence: 99%
“…[39][40][41][42][43] Besides, previous reports focus on WS 2 nanosheets by wet transferring to Si substrate for device fabrication, which brings unexpected and unavoidable damage to the device, and possibly decreases performance. [44,45] Many of these drawbacks can be circumvented by introducing defects within the bandgap of WS 2 nanosheets by rare-earth element substitution, [46] an approach that would be appealing also for applications for infrared photodetectors. [47] Moreover, the rareearth fine structured spectral emission and absorption [48] offer many opportunities for fundamental research and technical applications of 2DM-based infrared photodetectors, due to the breakthrough of the intrinsic bandgap limitation.…”
Section: Introductionmentioning
confidence: 99%