We report results from several ab-initio computations of electronic, transport and bulk properties of zinc-blende beryllium selenide (zb-BeSe). Our nonrelativistic calculations utilized a local density approximation (...We report results from several ab-initio computations of electronic, transport and bulk properties of zinc-blende beryllium selenide (zb-BeSe). Our nonrelativistic calculations utilized a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO). The key distinction of our calculations from other DFT calculations is the implementation of the Bagayoko, Zhao and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF), in the LCAO formalism. Our calculated, indirect band gap is 5.46 eV, from Γto a conduction band minimum between Г and X, for a room temperature lattice constant of 5.152 Å. Available, room temperature experimental band gaps of 5.5 (direct) and 4 - 4.5 (unspecified) point to the need for additional measurements of this gap. Our calculated bulk modulus of 92.35 GPa is in excellent agreement with experiment (92.2 ±?1.8 GPa). Our predicted equilibrium lattice constant and band gap, at zero temperature, are 5.0438 Åand 5.4 eV, respectively.展开更多
Our calculations are based on the modeling technique and simulation Ab-Initio that appeals to the Density Functional Theory (DFT) relying on the Full-Potential Linearized Augmented Plane Waves (FP-LAPW) method that re...Our calculations are based on the modeling technique and simulation Ab-Initio that appeals to the Density Functional Theory (DFT) relying on the Full-Potential Linearized Augmented Plane Waves (FP-LAPW) method that requires a calculation process using approximations such as Local Density (LDA) and Generalized Gradient (GGA) developed in the modelling software of nanostructures WIEN2k. The optimal structure of the binary semiconductor ZnSe crystallizing in the complex phase of Zinc Blende (B3) was determined by studying the variation of energy depending on the volume of the elementary cell. Then the electronic properties of the optimized state were analyzed such as the gap energy, the total density of states (TDOS), the partial density of states (PDOS) and the repartition of the electronic charge density. The obtained results were successful compared with other theoretical and experimental values reported in literature.展开更多
Aims: To assess the hearing outcome in patients who have undergone stapes surgery using polytetrafluoroethylene (PTFE) and Titanium prosthesis at 1 and 3 months post operatively. Material & Methods: Research desig...Aims: To assess the hearing outcome in patients who have undergone stapes surgery using polytetrafluoroethylene (PTFE) and Titanium prosthesis at 1 and 3 months post operatively. Material & Methods: Research design: Prospective study. Setting: ENT department, Pushpagiri Medical College. Study population: All age groups with clinical diagnosis of otosclerosis and air-bone gap more than 15 dB irrespective of sex difference. Patients with Meniere’s disease are excluded. Method: A prospective study was conducted for a period of one and a half years from January 2014 to July 2015 to find out the hearing outcome of stapes surgery in patients with otosclerosis using polytetrafluoroethylene (PTFE) and Titanium prostheses, attending our outpatient department. Results: In this study, 84.21% of ears with polytetrafluoroethylene (PTFE) and 81.81% of ears with titanium were able to achieve good results in terms of Air-Bone gap (ABG) closure (ABG Conclusion: Stapes surgery is the surgical procedure of choice for otosclerosis. In our study, a significant hearing improvement was seen in majority of cases. None of the factors considered relevant for the success of stapes surgery like age, sex, type of prosthesis appeared to affect the post-operative hearing significantly. Hence stapes surgery can be effectively used to improve hearing in otosclerosis.展开更多
文摘We report results from several ab-initio computations of electronic, transport and bulk properties of zinc-blende beryllium selenide (zb-BeSe). Our nonrelativistic calculations utilized a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO). The key distinction of our calculations from other DFT calculations is the implementation of the Bagayoko, Zhao and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF), in the LCAO formalism. Our calculated, indirect band gap is 5.46 eV, from Γto a conduction band minimum between Г and X, for a room temperature lattice constant of 5.152 Å. Available, room temperature experimental band gaps of 5.5 (direct) and 4 - 4.5 (unspecified) point to the need for additional measurements of this gap. Our calculated bulk modulus of 92.35 GPa is in excellent agreement with experiment (92.2 ±?1.8 GPa). Our predicted equilibrium lattice constant and band gap, at zero temperature, are 5.0438 Åand 5.4 eV, respectively.
文摘Our calculations are based on the modeling technique and simulation Ab-Initio that appeals to the Density Functional Theory (DFT) relying on the Full-Potential Linearized Augmented Plane Waves (FP-LAPW) method that requires a calculation process using approximations such as Local Density (LDA) and Generalized Gradient (GGA) developed in the modelling software of nanostructures WIEN2k. The optimal structure of the binary semiconductor ZnSe crystallizing in the complex phase of Zinc Blende (B3) was determined by studying the variation of energy depending on the volume of the elementary cell. Then the electronic properties of the optimized state were analyzed such as the gap energy, the total density of states (TDOS), the partial density of states (PDOS) and the repartition of the electronic charge density. The obtained results were successful compared with other theoretical and experimental values reported in literature.
文摘Aims: To assess the hearing outcome in patients who have undergone stapes surgery using polytetrafluoroethylene (PTFE) and Titanium prosthesis at 1 and 3 months post operatively. Material & Methods: Research design: Prospective study. Setting: ENT department, Pushpagiri Medical College. Study population: All age groups with clinical diagnosis of otosclerosis and air-bone gap more than 15 dB irrespective of sex difference. Patients with Meniere’s disease are excluded. Method: A prospective study was conducted for a period of one and a half years from January 2014 to July 2015 to find out the hearing outcome of stapes surgery in patients with otosclerosis using polytetrafluoroethylene (PTFE) and Titanium prostheses, attending our outpatient department. Results: In this study, 84.21% of ears with polytetrafluoroethylene (PTFE) and 81.81% of ears with titanium were able to achieve good results in terms of Air-Bone gap (ABG) closure (ABG Conclusion: Stapes surgery is the surgical procedure of choice for otosclerosis. In our study, a significant hearing improvement was seen in majority of cases. None of the factors considered relevant for the success of stapes surgery like age, sex, type of prosthesis appeared to affect the post-operative hearing significantly. Hence stapes surgery can be effectively used to improve hearing in otosclerosis.
