For the investigation of structural, electronic, optical and magnetic properties of Co2CrZ (Z= In, Sb, Sn) compounds, we have used two different methods. One is based on full potential linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2k and second is pseudo potential method as implemented in Atomistic Tool Kit-Virtual NanoLab (ATK-VNL). These compounds show zero band gap in their majority-spin and minority-spin representing metallic behavior except the compound Co2CrSb, which is showing the band gap 0.54 eV in their minority-spin near the Fermi level and viewing 100% spin polarization; which is implemented in WIEN2k code. Further, the compound Co2CrSb has been found to be perfectly half-metallic ferromagnetic (HMF). However, above mentioned compounds shows zero band gap in ATK-VNL code. Calculations performed using WIEN2k code shows the magnetic moment of these compounds Co2CrZ (Z= In, Sb, Sn) 3.11, 5.00 and 4.00µB respectively. However, the respective magnetic moment of these compounds is found to be 3.14, 5.05 and 4.12µB in ATK-VNL code. Calculated magnetic moments have good agreement with the Slater-Pauling behavior. Optical properties play an important role to understand the nature of material for optical phenomenon and optoelectronics devices. Value of absorption coefficient and optical conductivity of Co2CrSb is greatest than other two compounds. From the absorption and reflection spectra relation, observations indicate that absorption and reflectivity are inversely proportional to each other.
Ab initio calculations have been performed by the full potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2K code within the density functional theory to obtain the fundamental physical properties of ZnSnP2 in the body centered tetragonal (BCT) phase. The six elastic constants (C11, C12, C13, C33, C44 and C66) and mechanical parameters have been presented and compared with the available experimental data. The thermal properties within the quasi-harmonic approximation is used to give an accurate description of the pressure-temperature dependence of the thermal-expansion coefficient, bulk modulus, specific heat, Debye temperature, entropy Grüneisen parameters. Based on the semi-empirical relation, we have determined the hardness of the material; which attributed to different covalent bonding strengths. Further, ZnSnP2 solar cell devices have been modeled; device physics and performance parameters have analyzed for ZnTe and CdS buffer layers. Simulation results for ZnSnP2 thin layer solar cell show the maximum efficiency (22.9%) with ZnTe as the buffer layer. Most of the investigated parameters are reported for the first time.
Herein, optoelectronic, elastic and magnetic properties of L21 structured Co2VZ (Z= Pb, Si, Sn) full Heusler compounds have been investigated by two methods. One is full potential linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2k and second is pseudo potential method as implemented in Atomistic Tool Kit-Virtual NanoLab (ATK-VNL). All these compounds shows zero band gap in majority spin channel in the both simulation codes and a finite band gap are 0.33 and 0.54 eV in Co2VZ (Z= Pb, Sn) alloys (semiconducting) respectively. Due to minority-spin channel near the Fermi level as implemented in WIEN2k code and showing 100% spin polarization except Co2VSi (metallic) with zero band gap. These compounds found to be perfectly half-metallic ferromagnetic (HMF). However, above mentioned compounds shows finite band gaps in ATK-VNL code. The calculated magnetic moment of these compounds Co2VZ (Z= Pb, Si, Sn) are 3.00 and 3.00, 3.02 and 2.96, 3.00 and 3.00µB in WIEN2k and ATK-VNL codes respectively. Thus we have observed that the calculated vales by these simulation codes and Slater-Pauling rule have nice tuning. Optical properties of these compounds like as reflectivity, refractive index, excitation coefficient, absorption coefficient, optical conductivity and electron energy loss have been analyzed. Absorption coefficient and electron energy - loss function values are increases as we increase the value of energy. The vales of Pugh’s ratio B/G is greater than 1.75 for all compounds and showing ductile nature with positive value of Cauchy pressure (CP = C12 – C44) and shows metallic behavior of Co2VZ (Z= Pb, Si, Sn) compounds.
Objective: The concept of managing patients on the basis of culprit lesion characteristics is emerging. Atherosclerotic plaques are reported to be rare in young patients presenting with acute coronary syndrome (ACS). We aimed to assess culprit lesion characteristics in very young patients presenting with ACS by optical coherence tomography (OCT). Methods: This was a prospective, single-center, open-label, observational study. Patients aged 35 years or less with ACS who underwent invasive coronary angiography and OCT were studied. Results: Of the 43 patients, 22 (51.2%) had plaque rupture, 16 (37.2%) had plaque erosion, and five (11.6%) had no specific lesion character. Plaque was fibroatheromatous in 34 (79.1%) patients and fibrous in seven (16.3%). Plaque was not found in two (4.7%) patients; of these, one (2.3%) had left anterior descending coronary artery bridging, and one (2.3%) had intimal dissection without any plaque. Plaque rupture was more commonly associated with fibroatheromatous plaques, whereas plaque erosion was more commonly associated with fibrous plaque (p=0.010). Conclusion:Although plaque rupture and plaque erosion occurred at the same rate as seen in patients of all ages, calcified nodule as a culprit lesion was not found in young patients. Majority of the patients had plaque rupture and plaque erosion with fibroatheromatous plaque, signifying the occurrence of established coronary artery disease in very young patients of Southeast Asia.
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