Dependence of Physical Parameters of Compound Semiconductors on Refractive Index

Interesting relationships have been found between refractive index, plasmon energy, electronic polarisability, bond length, microhardness, bulk modulus, force constants and lattice energy. An attempt has been made for the first time to correlate only one physical parameter with others. The calculated values are in good agreement with the experimental values as well as with the values reported in the literature. Refractive index data is the only one parameter required to estimate all the above parameters

Re-examining the giant magnetization density in α′′-Fe16N2 with the SCAN+U method

Abstract We present an in-depth discussion of the magnetic ground state of α′′-Fe16N2 within the framework of the density functional theory (DFT). The exchange–correlation effects are treated using a variety of schemes, including the local-spin-density approximation, the generalized-gradient approximation, and the Strongly-Constrained-and-Appropriately-Normed (SCAN) scheme. We also delineate effects of adding an on-site interaction parameter U on the Fe sites. Among all the schemes considered, only SCAN+U is found to capture the surprisingly large magnetization density in α′′-Fe16N2 that has been observed experimentally. Our study shows how the combination of SCAN and self-interaction corrections applied on different Fe sites through the parameter U can reproduce both the correct equilibrium volume and the giant magnetization density of α′′-Fe16N2

First principles calculations of the optical response of LiNiO₂

Abstract We discuss optical properties of layered Lithium Nickel oxide (LiNiO₂), which is an attractive cathode material for realizing cobalt-free lithium-ion batteries, within the first-principles density functional theory (DFT) framework. Exchange correlation effects are treated using the generalized gradient approximation (GGA) and the strongly-constrained-and-appropriately-normed (SCAN) meta-GGA schemes. A Hubbard parameter (U) is used to model Coulomb correlation effects on Ni 3d electrons. The GGA+U is shown to correctly predict an indirect (system wide) band gap of 0.46 eV in LiNiO₂, while the GGA yields a bandgap of only 0.08 eV. The calculated refractive index and its energy dependence is found to be in good agreement with the corresponding experimental results. Finally, our computed optical energy loss function yields insight into the results of recent RIXS experiments on LiNiO₂

Identification of a high frequency of chromosomal rearrangements in the centromeric regions of prostate cancer patients

The aim of the present investigation was to study the major chromosomal aberrations (CA) like deletion, translocation, inversion and mosaic in prostate cancer patients of Tamilnadu, Southern India. Totally 45 blood samples were collected from various hospitals in Tamilnadu, Southern India. Equal numbers of normal healthy subjects were chosen after signing a consent form. Volunteers provided blood samples (5 ml) to establish leukocyte cultures. Cytogenetic studies were performed by using Giemsa-banding technique and finally the results were ensured by spectral karyotyping (SKY) technique. In the present investigation, major CA like deletion, translocation, inversion and mosaic were identified in experimental subjects. Results showed frequent CA in chromosomes 1, 3, 5, 6, 7, 9, 13, 16, 18 and X. In comparison with experimental subjects, the control subjects exhibited very low levels of major CA (P<0.05). In the present study, the high frequency of centromeric rearrangements indicates a potential role for mitotic irregularities associated with the centromere in prostate cancer tumorigenesis. Identification of chromosome alterations may be helpful in understanding the molecular basis of the disease in better manner

Abstracts of the International Conference on Recent Trends in Mathematics and Computer Science 2023

This book presents the abstracts of the selected contributions to the International Conference on Recent Trends in Mathematics and Computer Science 2023 (ICRTMCS-2023), held on 19-21 October 2023 by the Auxilium College of Arts and Science for Women, Regunathapuram, Tamil Nadu, India. ICRTMCS-2023 was a multidisciplinary conference organized with the objective of bringing together eminent academicians, research scholars, and students to exchange ideas, communicate, to discuss research findings and new advances on recent and emerging trends in the field of Mathematics and Computer Science. Moreover, the conference would also enable the participants to explore new fields and gain immense knowledge. Conference Title: International Conference on Recent Trends in Mathematics and Computer Science 2023Conference Acronym: ICRTMCS-2023Conference Date: 19-21 October 2023Conference Venue: Hybrid (Online and Auxilium College of Arts and Science for Women, Regunathapuram, India)Conference Organizer: Departments of Mathematics and Computer Science, Auxilium College of Arts and Science for Women, Regunathapuram, Tamil Nadu, Indi