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1.
J Chem Phys ; 152(19): 194705, 2020 May 21.
Article in English | MEDLINE | ID: mdl-33687247

ABSTRACT

A fully microscopic model of the doping-dependent exciton and trion linewidths in the absorption spectra of monolayer transition metal dichalcogenides in the low temperature and low-doping regime is explored. The approach is based on perturbation theory and avoids the use of phenomenological parameters. In the low-doping regime, we find that the trion linewidth is relatively insensitive to doping levels, while the exciton linewidth increases monotonically with doping. On the other hand, we argue that the trion linewidth shows a somewhat stronger temperature dependence. The magnitudes of the linewidths are likely to be masked by phonon scattering for T ≥ 20 K in encapsulated samples in the low-doping regime. We discuss the breakdown of perturbation theory, which should occur at relatively low-doping levels and low temperatures. Our work also paves the way toward understanding a variety of related scattering processes, including impact ionization and Auger scattering in clean 2D samples.

2.
Nano Lett ; 18(12): 8041-8046, 2018 12 12.
Article in English | MEDLINE | ID: mdl-30387614

ABSTRACT

Here we develop a microscopic approach aimed at the description of a suite of physical effects related to carrier transport in, and the optical properties of, halide perovskites. Our theory is based on the description of the nuclear dynamics to all orders and goes beyond the common assumption of linear electron-phonon coupling in describing the carrier dynamics and band gap characteristics. When combined with first-principles calculations and applied to the prototypical MAPbI3 system, our theory explains seemingly disparate experimental findings associated with both the charge-carrier mobility and optical absorption properties, including their temperature dependencies. Our findings demonstrate that orbital-overlap fluctuations in the lead-halide structure plays a significant role in determining the optoelectronic features of halide perovskites.

3.
Am J Orthod Dentofacial Orthop ; 128(4): 431-4, 2005 Oct.
Article in English | MEDLINE | ID: mdl-16214623

ABSTRACT

INTRODUCTION: The peer assessment rating (PAR) index is a valid and reliable tool for measuring malocclusion on plaster models, but it has not been shown to be valid and reliable when used to score computer-based digital models. The purpose of this study was to determine whether the PAR index is a valid and reliable measure on digital models. METHODS: The study sample consisted of 48 pairs of plaster and digital pretreatment models. One examiner, calibrated in the PAR index, scored the digital and plaster models. The overall PAR scores were examined for reliability and validity by using analysis of variance and the intraclass correlation coefficient (ICC). Reliability of the components of the PAR score was compared with values originally presented by Richmond et al (1992). RESULTS: No significant differences were found between overall PAR scores of plaster and digital models (P = .82), and scores were highly correlated (ICC = 0.95; lower confidence boundary (LCB) = 0.92; upper confidence boundary (UCB) = 0.97). Intraexaminer reliability was excellent for both plaster models (ICC = 0.98; LCB = 0.97; UCB = 0.99) and digital models (ICC = 0.96; LCB = 0.94; UCB = 0.98). Reliability of all components of the PAR score generated on digital models except for buccal occlusion was similar to those of Richmond et al. CONCLUSION: PAR scores derived from digital models are valid and reliable measures of occlusion.


Subject(s)
Dental Arch/pathology , Diagnosis, Computer-Assisted/methods , Malocclusion/diagnosis , Models, Dental/statistics & numerical data , Orthodontics, Corrective/methods , Diagnosis, Computer-Assisted/instrumentation , Humans , Jaw Relation Record/methods , Malocclusion/therapy , Observer Variation , Orthodontics, Corrective/instrumentation , Reproducibility of Results , Severity of Illness Index
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