scholarly journals Probing the role of thermal vibrational disorder in the SPT of VO$$_2$$ by Raman spectroscopy

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Aminat Oyiza Suleiman ◽  
Sabeur Mansouri ◽  
Nicolas Émond ◽  
Boris Le Drogoff ◽  
Théophile Bégin ◽  
...  

AbstractPhase competition in transition metal oxides has attracted remarkable interest for fundamental aspects and technological applications. Here, we report a concurrent study of the phase transitions in undoped and Cr-doped VO$$_2$$ 2 thin films. The structural, morphological and electrical properties of our films are examined and the microstructural effect on the metal–insulator transition (MIT) are highlighted. We further present a distinctive approach for analyzing the Raman data of undoped and Cr-doped VO$$_2$$ 2 thin films as a function of temperature, which are quantitatively correlated to the electrical measurements of VO$$_2$$ 2 films to give an insight into the coupling between the structural phase transition (SPT) and the MIT. These data are also combined with reported EXAFS measurements and a connection between the Raman intensities and the mean Debye–Waller factors $$\sigma ^2$$ σ 2 is established. We found that the temperature dependence of the $$\sigma _{R}^{2}(V-V)$$ σ R 2 ( V - V ) as calculated from the Raman intensity retraces the temperature profile of the $$\sigma _{EXAFS}^{2}(V-V)$$ σ EXAFS 2 ( V - V ) as obtained from the EXAFS data analysis. Our findings provide an evidence on the critical role of the thermal vibrational disorder in the VO$$_2$$ 2 phase transitions. Our study demonstrates that correlating Raman data with EXAFS analysis, the lattice and electronic structural dynamics can be probed.

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Wen-Hao Liu ◽  
Jun-Wei Luo ◽  
Shu-Shen Li ◽  
Lin-Wang Wang

AbstractThe hot carrier cooling occurs in most photoexcitation-induced phase transitions (PIPTs), but its role has often been neglected in many theoretical simulations as well as in proposed mechanisms. Here, by including the previously ignored hot carrier cooling in real-time time-dependent density functional theory (rt-TDDFT) simulations, we investigated the role of hot carrier cooling in PIPTs. Taking IrTe2 as an example, we reveal that the cooling of hot electrons from the higher energy levels of spatially extended states to the lower energy levels of the localized Ir–Ir dimer antibonding states strengthens remarkably the atomic driving forces and enhances atomic kinetic energy. These two factors combine to dissolute the Ir–Ir dimers on a timescale near the limit of atomic motions, thus initiating a deterministic kinetic phase transition. We further demonstrate that the subsequent cooling induces nonradiative recombination of photoexcited electrons and holes, leading to the ultrafast recovery of the Ir–Ir dimers observed experimentally. These findings provide a complete picture of the atomic dynamics in optically excited structural phase transitions.


2021 ◽  
pp. 159346
Author(s):  
Hyun-Woo Bang ◽  
Woosuk Yoo ◽  
Kyujoon Lee ◽  
Young Haeng Lee ◽  
Myung-Hwa Jung

2020 ◽  
Vol 11 (1) ◽  
pp. e9-e9
Author(s):  
Zahra Lotfi ◽  
Abbas Ali Zeraati ◽  
Elaheh Dashti ◽  
Tina Zeraati ◽  
Maryam Arghiany ◽  
...  

Introduction: Systemic bacterial infections are a common cause of mortality and morbidity in hemodialysis patients. Zinc has a critical role in several immune system functions. Patients who have enough amounts of zinc are able to better face infections caused by various pathogens in comparison to those with zinc insufficiency Objective We sought to assess the role of zinc deficiency in dialysis-associated bacterial infections. Patients and Methods: Eighty-Three adult patients with end-stage renal disease (ESRD) on hemodialysis including 43 patients with bacterial infectious complications and 40 non-infected patients as well as 41 healthy individuals were enrolled. Clinical data, laboratory values including serum zinc level and imaging findings were collected. SPSS was utilized to analyze the data with a significance cutoff set at P < 0.05. Results: Out of 124 participants, 80 (64.51%) were males and 44 (35.49%) were females. The mean age of infected hemodialysis group, non-infected hemodialysis group, and healthy controls were 50.8 ± 16.25, 49.1 ± 18.1, and 56.3 ± 18.2 years, respectively. Catheter site infection (37.3%) and urinary tract infection (30.2%) were the most common infections. The mean serum zinc concentration was significantly lower in the infected patients, compared to non-infected patients and healthy individuals (P < 0.001). Conclusion: The ESRD patients on hemodialysis have lower serum zinc levels which are associated with increased risk of bacterial infection. The role of screening for zinc deficiency and use of supplemental zinc in these patients need to be studied.


2010 ◽  
Vol 25 (1) ◽  
pp. 29-34 ◽  
Author(s):  
Kris Chesky

The purpose of this study was to determine sound exposure levels generated in two college wind bands. Dosimeter data from a large sample of ensemble-based instructional activities (n = 43) was collected over time and processed to assess associations with predictor variables that may be relevant to this context, including indicators of time spend at various intensity levels, maximum and peak sound levels, degree of variability of sound levels over time, and the percentage of time playing music. The mean dose per event for the entire sample was 109.5% and ranged from 53.8% to 166.9%. Results of linear regression analysis revealed that regressors accounted for a significant proportion of the variance in dose (F = 128.42, p < 0.000) and a statistically significant and very large (96% variance accounted for) contribution to the prediction of dose. Findings implicate the critical role of the instructor and teaching pedagogy.


2018 ◽  
Vol 20 (8) ◽  
pp. 5636-5643 ◽  
Author(s):  
Christoph Möller ◽  
Hanna Fedderwitz ◽  
Claudine Noguera ◽  
Jacek Goniakowski ◽  
Niklas Nilius

STM and DFT calculations are employed to explore structural phase transitions in thin copper-oxide films grown on Au(111).


2018 ◽  
Vol 2 (10) ◽  
pp. 2224-2236 ◽  
Author(s):  
Wai Ling Kwong ◽  
Pramod Koshy ◽  
Judy N. Hart ◽  
Wanqiang Xu ◽  
Charles C. Sorrell

Decoupled effects of crystallographic {002} orientation and oxygen vacancies on the electronic band structure of monoclinic WO3 films.


2020 ◽  
Vol 33 (5) ◽  
pp. 1659-1675 ◽  
Author(s):  
Min-Seop Ahn ◽  
Daehyun Kim ◽  
Yoo-Geun Ham ◽  
Sungsu Park

AbstractThe Maritime Continent (MC) region is known as a “barrier” in the life cycle of the Madden–Julian oscillation (MJO). During boreal winter, the MJO detours the equatorial MC land region southward and propagates through the oceanic region. Also, about half of the MJO events that initiate over the Indian Ocean cease around the MC. The mechanism through which the MC affects MJO propagation, however, has remained unanswered. The current study investigates the MJO–MC interaction with a particular focus on the role of MC land convection. Using a global climate model that simulates both mean climate and MJO realistically, we performed two sensitivity experiments in which updraft plume radius is set to its maximum and minimum value only in the MC land grid points, making convective top deeper and shallower, respectively. Our results show that MC land convection plays a key role in shaping the 3D climatological moisture distribution around the MC through its local and nonlocal effects. Shallower and weaker MC land convection results in a steepening of the vertical and meridional mean moisture gradient over the MC region. The opposite is the case when MC land convection becomes deeper and stronger. The MJO’s eastward propagation is enhanced (suppressed) with the steeper (lower) mean moisture gradient. The moist static energy (MSE) budget of the MJO reveals the vertical and meridional advection of the mean MSE by MJO wind anomalies as the key processes that are responsible for the changes in MJO propagation characteristics. Our results pinpoint the critical role of the background moisture gradient on MJO propagation.


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