Search

Abstract Background Myopericarditis is a well reported complication associated with SARS-Cov-2 (COVID-19) infection and vaccinations; particularly with mRNA vaccines (BNT162b2 and mRNA-1273), and in the young male population. The risk-to-benefit ratio in sequential vaccination dosing in young males is further clouded in the era of the omicron variant with its reported enhanced immune escape. Study design A case series of two cases of post vaccination myopericarditis following the NVX-CoV2373 after also developing myopericarditis with BNT162b2. Conclusion To our knowledge, we are the first to describe post vaccination myopericarditis following NVX-CoV2373 after also developing myopericarditis with BNT162b2. The similarities in presentation between the reactions of both platforms would suggest a similar pathogenesis, although the exact mechanism remains unknown. Further studies are necessary to identify these mechanisms, as well as to identify biomarkers that may identify vulnerable populations. On-going vigilance is necessary to identify those who may be at an increased risk of post-COVID vaccine myopericarditis.

OBJECTIVE: To find out the mediating role of coping between factors of obesity and marital relationship in women with obesity. METHODS: This analytical cross-sectional study was conducted from May to November 2019 at various universities (Lahore College for Women University, Riphah International University, and University of Central Punjab) and hospitals (Services Hospital, Jinnah Hospital and Shalimar Hospital) of Lahore, Pakistan. Sample (n=400) was collected through Purposive sampling technique. Overeating Situations Scale, big five personality inventory, relationship satisfaction inventory, brief coping response inventory along demographic form were administered on the sample. Data was analyzed through Path analysis using AMOS-20 RESULTS: Majority (n=213/400; 53.25%) of participants were working in private-sector, 216/400 (54%) were teachers and 54% (n=184/400) were doctors. Participants ranged in age from 25-50 years. Forty-five percent (n=180) had 1-5 years’ duration of marriage. Path analysis revealed that the structural path from reappraisal coping to openness to experience and from extraversion to the marital relationship has a positive direct effect. It can also be seen that the structural path from emotional, psychological, and cognitive factors to marital relationship and from disengagement coping to the marital relationship have direct significant negative, whereas from reappraisal coping to marital relationship show a direct positive effect. Coping showed two indirect paths to marital relationship: the path mediated by reappraisal coping to marital relationship and disengagement coping marital relationship. CONCLUSION: Mediating effect of coping revealed that women who use reappraisal coping enjoy better marital life as compared to the women who use disengagement type of coping.

Background and Objectives. Head and neck arteriovenous malformations and fistulae treatment without reflux and with nidal penetration can pose a particular challenge to the interventional radiologist. Squid, an ethylene-vinyl alcohol copolymer-based liquid embolic agent, was developed primarily for neuroradiologic interventions with limited applicability being described in the management of peripheral arteriovenous malformations. We present a study evaluating the safety and efficacy of using squid (18 and 12) alone and in combination with other embolic agents for peripheral arteriovenous malformation embolization in a cohort of adult and paediatric patients. Materials and Methods. Between January 2018 and December 2020, twenty patients (7 men and 13 women) with peripheral high-flow arteriovenous malformations who were treated primarily with arterial embolization using squid were retrospectively included. Anatomical sites being treated included the head and neck (16), extremities (2), uterus (1), and pelvis (1). Squid was used as the sole embolic agent in 15 patients, and transarterial embolization was employed in all cases except one where direct puncture embolization was used. Treatments were delivered over one or two sessions, with or without surgery. A total of 27 sessions were carried out with an interval time ranging from 6 to 36 months between sessions. Results. Technical success was achieved in all cases. In those patients treated with squid alone, 13 exhibited total devascularization following embolization, and a further 4 required surgical excision to achieve complete obliteration of the arteriovenous malformation. There were no major complications, cases of microcatheter entrapment, or dimethyl sulfoxide-related pain recorded. On follow-up, one patient reported persistent pain, and another patient developed a garlicky taste. All other patients reported complete resolution of symptoms following treatment. Conclusion. This study demonstrates the successful use of squid in managing peripheral arteriovenous malformations with low complication rates and long-term stable results, therefore validating its efficacy when used alone or in combination with other embolic agents. Squid may be the preferred embolic agent in any interventional radiologist’s armamentarium as it offers formulations with varying viscosities (squid-18 and squid-12). We conclude that squid should be considered as a first-line embolic agent in the management of peripheral arteriovenous malformations.

This is a retrospective review of eight patients with extracranial arteriovenous malformations (AVMs) of the auricular region. All cases presented with significant hemorrhages or cosmetic defects. Highflow AVMs of the auricular are quite rare in contrast to low flow vascular lesions of the head and neck, making early diagnosis and treatment critical as incidences of recurrence are high if not managed properly. The purpose of this study is to present our experience of experimental endovascular treatment in a series of eight patients with auricular AVMs. From January 2015 to December 2017, eight patients with auricular AVM were put through transcatheter arterial embolization and percutaneous direct puncture embolization with polyvinyl alcohol (PVA) and bleomycin in five patients, glue embolization in one patient and coiling along with PVA in two patients to occlude high-flow fistula. Clinical outcomes were obtained through physical examination, and symptoms and a degree of devascularization on follow-up angiography. We performed 10 therapeutic embolization procedures. Of these, 3 resulted in absolute devascularization while 5 resulted in 75% obstruction. In 5 patient's embolization was performed as a palliative procedure. The other 3 were embolized as a sole mean of treatment for occluding the AVM. Only two patients developed postembolization necrosis and infection, and there has been no reexpansion of lesions to date. While thus far only having been used as percutaneous local sclerotherapy, this study found that bleomycin and PVA mixture, if used intraarterially can be more effective in the management of auricular AVM's.

Objective: To determine the factors of obesity and role of personality traits in prevalence of obesity among middle-aged women. Study Design: Cross sectional analytical research design. Place and Duration of Study: Three universities (Lahore College for Women University, Riphah International University, University of Central Punjab) and three hospitals (Services Hospital, Jinnah Hospital and Shalimar Hospital) of Lahore City, from Feb 2019 to Jul 2019. Methodology: Four hundred clinically diagnosed obese women were collected using Purposive Sampling. The age range of participants was 25-50 years. Women diagnosed with any other clinical problem were excluded from the study. Factors of obesity were assessed using Factors for Obesity Scale. To measure the relationship of personality traits with obesity Neo Personality Trait Scale was used. The data was analyzed using Pearson correlation, simple regression analysis and independent sample t-test using SPSS version 22. Results: There was strong positive correlation of psychological, emotional and cognitive factors with obesity. Neuroticism trait was significant positive (β=0.25, p

Abstract Background Long term results of endovascular coiling are yet scarce. This study reviews the impact of comorbidities on the success of endovascular coiling of both ruptured and unruptured intracranial aneurysms. Endovascular treatment has become thetreatment of choice after the ISAT trials. Independent risk factors that influence recovery are age, sex, smoking, and hypertension. Methods This is a 3-year retrospective analysis, performed to assess the clinical and radiological outcome of patients with cerebral aneurysms treated with detachable coils in an Asian population with relation to comorbidities including smoking and hypertension with age and gender as mediators. From July 2015 to August 2018, a total of 297 consecutive patients (mean age: 45.5 years) with cerebral aneurysms both ruptured and unruptured who were treated at a single center with endovascular coiling procedures are included in the study. Clinical information and radiological outcomes were evaluated on regular follow-ups and telephonic interviews. A modified Rankin Scale was used to measure the clinical outcomes in patients. Results We have found that smoking harmed clinical outcome, with smokers 35% less likely to recover, while hypertension played a smaller role with only 15%. It was found that while aneurysms are more prevalent in women than men, women not only have a higher chance of getting an aneurysm but also have poorer outcomes. Similarly, patients who were above the age of 40 had a lower chance of recovery compared to younger patients due to comorbidities irrespective of gender. Conclusion Asian sub-continent has different genetic markers that lead to poorer outcomes of aneurysms in women, while outcomes are similar in men and women in developed nations. Smoking does not play a major role in women’s recovery. Men with comorbidity seemed to be at higher risk and age played a major role in their recovery.

Introduction: COVID‐19 infection can show various manifestations, including neurologic manifestations, such as meningoencephalitis, cerebral vascular thrombosis, transverse myelitis, ischemic and hemorrhagic stroke, Guillain‐Barre syndrome, posterior reversible encephalopathy syndrome, reversible cerebral vasoconstriction syndrome, and many more. The study aims to briefly touch upon and identify the neurologic manifestations in the COVID‐19 infection in Pakistan during its third wave of SARS –Cov ‐2 (Kent or alpha) variant strain. Methods: We conducted a prospective study of all patients diagnosed with SARS‐CoV‐2 infection either by RT‐PCR or by COVID Index at our institution, from the beginning of the third wave from March 2021 to June 2021. A total of 2,808 patients with Covid were identified at our institution, 26 of whom were diagnosed with neurological diseases. Results: A total of 26 cases of COVID ‐19 manifested with neurological diseases. The patients were of all ages ranging from 18 years to 84 years. There were 17 males in the study. hemorrhage. Five patients had Subarachnoid hemorrhaging. Four patients presented with post‐COVID ‐19 mucormycotic. Sixteen cases reported confirmed COVID‐19, confirmation by positive swab test using the real‐time RT‐PCR method, neurological disorder, or syndrome on presentation or found during the hospital stay. The rest were diagnosed based on COVID Index; all markers were raised with COVID ‐19 symptoms. In seventeen cases, the patients recovered fully, while the others all expired. Conclusions: It is not commonly known, but COVID‐19 also affects the brain, resulting in a global and focal neurologic manifestation. Currently, it is difficult to distinguish whether the neurological complications of COVID‐19 are a consequence of direct or indirect effects of viral infections—therefore, emphasis on finding the concomitant cause of neurological infection in COVID ‐19. Further, healthcare providers treating a patient with a COVID‐19 infection should also be aware of neurologic manifestation associated with a COVID‐19 infection to improve patient outcomes.

Pure subdural hematoma with subarachnoid haemorrhage brought about by ruptured intracranial aneurysm is uncommon and is related to delayed analysis and treatment. We present an uncommon instance of spontaneous subdural hematoma because of intracranial aneurysmal rupture. Case description: A 26-year-old female presented with sudden onset of thunderclap headache at midnight followed by an episode of generalized tonic-clonic seizure and loss of consciousness. There was no associated history of trauma. Computed tomography showed convexity subdural hematoma extending into tentorium without subarachnoid haemorrhage. The catheter angiography revealed a distal anterior cerebral artery aneurysm at the anterior internal frontal artery. Consequently, this aneurysm was embolized with squid with no residual filling. The patient was neurologically intact and was discharged on the third post-procedure day with left partial third nerve palsy. Conclusion: This paper demonstrates characteristics, diagnostics, and treatment modalities of this rare condition of intracranial aneurysmal rupture associated with subdural hematoma along with the literature review.

This work displays the structural, electronic, elastic, optical, and magnetic properties in spin-polarized configurations for cubic fluoroperovskite ABF3 (A = Tl, B = Nb, V) compounds studied by density functional theory (DFT) by means of the Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach. The ground state characteristics of these compounds, i.e., the lattice parameters a0, bulk modulus (B), and its pressure derivative B′ are investigated. The structural properties depict that the selected compounds retain a cubic crystalline structure and have stable ground state energy. Electronic-band structures and DOS (density of states) in spin-polarized cases are studied which reports the semiconducting nature of both materials. The TDOS (total density of states) and PDOS (partial density of states) studies in both spin configurations show that the maximum contributions of states to the different bands is due to the B-site (p-states) atoms as well as F (p-states) atoms. Elastic properties including anisotropy factor (A), elastic constants, i.e., C11, C12, and C44, Poisson’s ratio (υ), shear modulus and (G), Young’s modulus (E) are computed. In terms of elastic properties, the higher (bulk modulus) “B” and ratio of “B/G” yield that these materials exhibit a ductile character. Magnetic properties indicate that both the compounds are ferromagnetic. In addition, investigations of the optical spectra including the real (ε1ω) and imaginary (ε2ω) component of the dielectric function, refractive index nω, optical reflectivity Rω, optical conductivity σω, absorption coefficient αω, energy loss function Lω, and electron extinction coefficient kω are carried out which shows the transparent nature of TlVF3 and TlNbF3. Based on the reported research work on these selected materials, their applications can be predicted in many modern electronic gadgets.

Purpose We analyzed results of percutaneous sclerotherapy for venous malformations (VMs) in head, neck and extremities. Materials and Methods Thirty-five patients with head and neck and extremities VM treated by sclerotherapy with bleomycin and sodium tetradecyl sulphate (STS) were retrospectively reviewed. A pre-treatment magnetic resonance imaging was done for all patients to diagnose the lesion. Each lesion received 1 to 11 sessions (average, 2.7; standard deviation [SD], 2.03). We evaluated percentage reduction in swelling size and a Likert scale review of subjective feelings of the patients. Results Sixteen had a complete obliteration; by sclerotherapy alone (n=13) and surgery after a 75% reduction (n=3). Ten patients had a significant reduction up to 75% and three patients by 50%. Four had a minimal decrease with reduction of 25% or less. Follow-up duration of the patients varied from a minimum of 6 months up to 3 years (average, 15.7 months; SD, 7.8 months). Of all patients, three refused further treatment and were lost to follow-up, while another two were referred to a dermatologist. Thirteen patients reported feeling excellent after the sessions. Eight patients claimed to feel slightly better compared to before the sessions started. Only three patients complained of feeling the same before and after the sessions. None of the patients still in follow-up have reported a recurrence of a lesion thus far. Conclusion Sclerotherapy using bleomycin and STS as sclerosants is a safe and effective primary treatment for VMs in the head and neck as well as in extremities.

Objectives: The characteristics of intracranial aneurysms display ethnic variations. The management strategy of unruptured aneurysms is influenced by the prevalence because the incidence of subarachnoid hemorrhage has been properly accessed. Data on this disease from Pakistan is non-existent.The objective of this retrospective study was to generate data on the local prevalence of ruptured and unruptured intracranial aneurysms in Pakistani population. Methods: All records of patients (1000) with intracranial aneurysms seen at our institution, the largest referral hospital of the country, drains whole country as well as neighboring countries on the west and north where still no dedicated NeuroIntervention facilities are present, over the period from January 2015 to January 2019, were examined for site, age, gender distribution, multiplicity and mirror aneurysms. Results: The study found the mean age of patients to be 43 years, females presented with same mean age but showed large number of patients in the age bracket of 30–39 and 50–59. Males only showed a large number of patients between 50 and 59. There were 622 females and 378 males in the study. The most common site for aneurysm was ACoA followed by MCA and ICA coming on third. 68% patients presented with ruptured aneurysms. Conclusion: This study provides valuable information on the epidemiology of intracranial aneurysms in the Pakistan population. This study finds the epidemiology of ruptured and unruptured aneurysms in Pakistan. It highlights the age and gender of patients that were presented as well as the locations and multiplicity and mirror aneurysms. Keywords: Epidemiology, Aneurysm, Population

Background: Direct puncture embolization with glue is an effective technique for pre-operative devascularization of craniofacial arteriovenous malformations. Venous outflow and arterial inflow of the lesion need to be limited during injection of embolic material. Manual compression is the standard procedure for flow reduction, but when an AVM has multiple channels of venous drainage, achieving successful blockage of blood is technically difficult. This study demonstrates the use of a circumferential cookie cutter ring to reduce flow, with better results compared to manual compression. Design and methods: This is a retrospective study of ten patients, over a period of two years, with craniofacial arteriovenous malformations who were treated with direct percutaneous injection of glue. Pre-embolization angiography was performed to see arterial feeders and venous draining veins. Adjunctive maneuvers were used during embolization, including external compression of venous pouch with circular cookie cutter rings of different sizes varying based on lesion size. Glue cast was localized within and around the margins of circular cookie cutter ring without any distal migration. Results: No neurological complications secondary to the embolization procedure were observed. The arteriovenous shunts were successfully occluded in all cases. There was partial occlusion in two cases. Total occlusion achieved in five cases when embolization was followed by surgery. Only one case required a second session to achieve total occlusion. Post embolization, there was minimal residual flow in one patient, who declined further treatment due to mitigation of symptoms. The shape of glue cast was changed in two cases after removal of cookie cutter when low concentrated glue was used. No skin necrosis was seen post embolization. Conclusions: Percutaneous direct puncture embolization with glue saves time and is a safer method for superficial craniofacial AVMs with prominent venous pouch when external compression was applied with circumferential cookie cutters to reduce venous outflow.

Glutamine is a potent stimulus for the release of glucagon-like peptide-1, which increases postprandial insulin and slows gastric emptying (GE). We determined the effects of glutamine on GE of, and glycaemic responses to, low- and high-nutrient drinks in eight healthy males (mean age 21.6 ± 0.7 years and BMI 22.9 ± 0.7 kg/m2). Participants were studied on four occasions on which they consumed either a low-nutrient (beef soup; 18 kcal) or high-nutrient (75 g dextrose; 255 kcal) drink, each with or without 30 g of glutamine (120 kcal), in a randomised, crossover design. GE (2D ultrasound), blood glucose and plasma insulin concentrations were measured concurrently. Glutamine slowed GE (half emptying time (T50)) of both low- (45 ± 3 min vs. 26 ± 2 min, p < 0.001), and high-nutrient, (100 ± 5 min vs. 77 ± 5 min, p = 0.03) drinks, however, there was no effect on GE of the high nutrient drinks when expressed as kcal/min (3.39 ± 0.21 kcal/min vs. 3.81 ± 0.20 kcal/min, p = 0.25). There was no change in blood glucose after the low-nutrient drinks with or without glutamine, despite a slight increase in plasma insulin with glutamine (p = 0.007). The rise in blood glucose following the high-nutrient drink (p = 0.0001) was attenuated during the first 60 min by glutamine (p = 0.007). We conclude that in healthy subjects, glutamine slows GE of both low- and high-nutrient drinks comparably and attenuates the rise in blood glucose after the high-nutrient glucose drink.

Background During the COVID-19 pandemic, decreased volumes of stroke admissions and mechanical thrombectomy were reported. The study’s objective was to examine whether subarachnoid haemorrhage (SAH) hospitalisations and ruptured aneurysm coiling interventions demonstrated similar declines.Methods We conducted a cross-sectional, retrospective, observational study across 6 continents, 37 countries and 140 comprehensive stroke centres. Patients with the diagnosis of SAH, aneurysmal SAH, ruptured aneurysm coiling interventions and COVID-19 were identified by prospective aneurysm databases or by International Classification of Diseases, 10th Revision, codes. The 3-month cumulative volume, monthly volumes for SAH hospitalisations and ruptured aneurysm coiling procedures were compared for the period before (1 year and immediately before) and during the pandemic, defined as 1 March–31 May 2020. The prior 1-year control period (1 March–31 May 2019) was obtained to account for seasonal variation.Findings There was a significant decline in SAH hospitalisations, with 2044 admissions in the 3 months immediately before and 1585 admissions during the pandemic, representing a relative decline of 22.5% (95% CI −24.3% to −20.7%, p

Double perovskites have harvested considerable attention in the realm of solar cells and renewable energy applications. Therefore, in this current study, we explored the structural, electronic, and optical properties of Rb2InGaCl6 and Rb2InGaF6 using DFT-based simulations with WIEN2K codes. It is unequivocally established that both compounds demonstrate structural and mechanical stability. Structural stability is further evaluated using Goldsmith's tolerance factor (τG). The τG values of 4.29 and 3.77 are considered acceptable for ensuring the stability of cubic structures for Rb2InGaCl6 and Rb2InGaF6 respectively. It is determined that both compounds are stable elastically and possess ductile characteristics, allowing them to undergo plastic deformation without fracturing. Our investigation reveals indirect band gaps of 1.7 eV (semiconductor) for Rb2InGaCl6 and 4.8 eV (insulator) for Rb2InGaF6. These diverse band structures open up exciting possibilities for optoelectronic applications. Regarding optical properties, the spectral curves of various parameters are examined in the range of 0 eV to 15 eV incident photon energy. The findings reveal the exceptional optical performance of Rb2InGaCl6 and Rb2InGaF6, particularly by their notably high absorption coefficients α(ω). Specifically, Rb2InGaCl6 demonstrates a remarkable absorption of 6.635 at 2.05 eV, while Rb2InGaF6 exhibits a significant absorption of 3.91 at 4.78 eV. The optical conductivity σ(ω) attains peak values, reaching 4.60 for Rb2InGaCl6 and 2.85 for Rb2InGaF6. Furthermore, the optical reflectivity R(ω) peaks at 13.60 eV for Rb2InGaCl6 and 6.30 eV for Rb2InGaF6. Lastly, the energy loss functions L(ω) attain their highest values of 0.57 and 7.58 for Rb2InGaCl6 and Rb2InGaF6, respectively. These results collectively emphasize the impressive optical characteristics of these compounds across a range of energy levels. These findings suggest promising potential energy applications for these materials, particularly in influencing electromagnetic radiation within the ultraviolet (UV) spectrum ranges. [ABSTRACT FROM AUTHOR]

The basic structural, optical, elastic, and electronic properties are investigated in this research for QZnCl3 (Q = Li and Na) ternary centrosymmetric chloroperovskites compounds utilizing the DFT approach. The integrated TB-mBJ exchange–correlation potential within the WIEN2K computational simulation package serves for precise outcomes. The structural optimization is done by fitting the Birch-Murnaghan equation of state (EOS) for the primitive unit cell energy versus primitive unit cell volume. The parameters from the optimized fitted curves, Goldsmith's tolerance factor (tG), and octahedral coefficient predict the stable cubic structure of QZnCl3 (Q = Li and Na) centrosymmetric ternary chloroperovskites compounds. The elastic parameters which include cubic elastic constants (ECs), elastic moduli (E), Poisson's ratio (v), anisotropy factor (A), and the Pugh ratio (B/G) investigated through IRelast code display the mechanical stability, ductility, and toughness of interested centrosymmetric compounds. Predicted electronic band structures and densities of states (DOS) display that LiZnCl3 and NaZnCl3 possess an indirect (R-Γ) band gap of 3.82 eV and of 3.91 eV respectively, confirming that both the materials are wide band gap semiconductors. In optical properties, the spectral curves of several parameters are observed from 0 eV up to 15 eV incident photons energy, and it is revealed that the centrosymmetric chloroperovskites QZnCl3 (Q = Li and Na) are optically effective at high absorption coefficients (α(ω)), optical conductivity (σ(ω)), optical reflectivity (R(ω)), and energy loss (L(ω)) functions. The potential energy applications can be deemed for these materials, influencing electromagnetic radiation in the ultraviolet (UV) spectrum ranges. In a nutshell, the research on QZnCl3 (Q = Li and Na) demonstrate that these centrosymmetric materials are noteworthy and can be applied as energy storage systems, scintillators, and many other components of present electronic devices. [ABSTRACT FROM AUTHOR]

Fluoroperovskites, a subgroup of perovskite materials, have gained substantial scientific interest due to their outstanding optoelectronic properties and potential applications in electronic devices, such as solar cells, LEDs, and transistors. These unique properties originate from the crystal structure, enabling adaptable bandgap engineering. This paper investigates the structural, elastic, electronic, and optical properties of LiXF3 (X = Cd, Hg) using Density Functional Theory in WIEN2K. The stable cubic nature of LiCdF3 and LiHgF3 with lattice constants of 4.396 Å and 4.560 Å, respectively, is revealed. Elastic property analysis confirms mechanical equilibrium and ductility, while band structure calculations indicate indirect band gaps of 2.64 eV and 3.38 eV for LiCdF3 and LiHgF3, respectively, from (M − Γ). Optical properties within a 15 eV range are correlated with the electronic structure, providing a comprehensive understanding of Li-based fluoroperovskites' physical attributes. [ABSTRACT FROM AUTHOR]

In the framework of density functional theory (DFT) using Tran--Blaha modified Becke--Johnson exchange potential approximation (TB-mBJ), the structural, electronic, optical and mechanical, characteristics of cubic fluoroperovskites TiXF3 (X = Zn, Cu) are investigated. The structural properties, including equilibrium lattice constant, the bulk modulus (B) and its pressure derivative (B') are studied. Both the compounds are found to be stable structurally in its cubic form. The elastic characteristics, i-e anisotropy factor (A), Poisson's ratio (v), elastic constants, Young's modulus (E), and shear modulus (G) are investigated. The values of v and B/G ratio indicates that TiZnF3 and TiCuF3 compounds are ductile and brittle in nature respectively and exhibit anisotropy. In addition, these materials are resistant to plastic deformation due to the high G value. The electronic band structure, density of states (DOS) verifies the semiconducting and metallic nature with energy band gap of 5.4 and 0 eV of TiXF3 (X = Zn, Cu) compounds respectively. Ionic bonding character is found in both TiXF3 (X = Zn, Cu) compounds. Calculations of the optical spectrum like energy loss function L(ω), optical conductivity σ(ω), absorption coefficient α(ω), reflectivity R(ω), refractive index n(ω), and extinction coefficient k(ω) are carried out for the energy range 0 eV-13.5 eV. It is reported that n( ω), k( ω), and α( ω) exhibit identical characteristics as ε1( ω) and ε2( ω) and σ(ω) respectively. The thermoelectric properties study shows the very high value of ZT for TiCuF3. Since the above properties for these compounds are computed for the first time, therefore, no theoretical or experimental data is available for the comparison. [ABSTRACT FROM AUTHOR]

The increasing research of advanced materials with tremendous compositional and structural degrees of variation, identifying and discovering new materials for a specific application is a challenging task. Here, we report for the first time the predicted structural, optoelectronic, and mechanical properties of germanium based AGeF3 (A = Ga and In) halides Perovskites using the density functional theory computational approach. The tolerance factor "τ" is computed for both the materials and is found to be 0.91 for InGeF3 and 0.89 for GaGeF3 which indicates the structural stability of these perovskites crystal structures. The optimized crystal structural parameters for both the compounds are found to be 4.476 Å for InGeF3 and 4.422 Å for GaGeF3 by performing the fit using Birch–Murnaghan for the unit cell energy verses unit cell volume. Using the optimized lattice constants all the basic physical properties are computed. From the results of electronic properties it is determined that both the compounds depict a semiconductor nature with having an indirect (R-M) band gap of 1.48 eV for InGeF3 and 0.98 eV for GaGeF3. To explore the potential of these selected compounds the optical properties within the energy range of 0 eV up to 40 eV incident photon are computed for the prospective optoelectronic applications. Moreover, the mechanical properties for both the materials are computed using the IRelast package and the values of cubic elastic parameters estimates that AGeF3 (A = Ga and In) halides Perovskites are mechanically stable, hard to scratch, ductile and anisotropic. We are fully confident on the precision and accuracy of our reported results and reveals that the applications of germanium based AGeF3 (A = Ga and In) halides Perovskites compounds can be deemed in photovoltaic and in modern semiconducting industries. [ABSTRACT FROM AUTHOR]