N. Kanwal^a, M. Ishfaq^a, S. A. Aldaghfag^b, S. Saleem^a, M. Yaseen^a,*

Chalcogenide Letters, Vol.21, No.1, pp. 53-63, 2024, DOI:10.15251/CL.2024.211.53

Abstract In this work, the electro-optical and magnetic characteristics of Be_1-xCr_xS (x= 6.25%, 12.5% and 25%) are brought into investigation by employing full potential linearized augmented plane wave (FP-LAPW) scheme designed within density functional theory (DFT). The stability of the Be_1-xCr_xS alloy is justified by the negative values of formation energy. The band structures and density of states are examined by using GGA functional. Be_1-xCr_xS compound demonstrates the half-metallic (HM) ferromagnetic behavior for all doping concentrations; spin-up channel reveals the metallic character and other spin version displays the semiconductor (SC) behavior. The values of total magnetic moment (µB) More >

N. A. Noor^a,*, F. Nasrullah^a, Ihab M. Moussa^b, S. Mumtaz^c

Chalcogenide Letters, Vol.21, No.5, pp. 413-421, 2024, DOI:10.15251/CL.2024.215.413

Abstract To comprehend the mechanical, electronic, and magnetic properties of chalcogenides HgSm₂S/Se₄, a DFT-oriented thorough investigation is carried out. The elastic constants and spin-dependent electrical characteristics are determined by using the PBEsol-GGA functional and (mBJ) potential correspondingly. Through optimization, a sufficient amount of energy is discharged by the FM state as compared to nonmagnetic states. By investigating Born stability criteria and formation energy, the structural stabilities of both spinels are verified. The calculated Poisson's and Pugh's ratios showed that both spinels are ductile. The estimation of Curie temperature has supported the existence of a ferromagnetic nature More >

S. Maqsood^a,*, M. A. Javed^b, S. Mumtaz^c, Mohammad K. Al-Sadoon^d

Chalcogenide Letters, Vol.21, No.6, pp. 449-458, 2024, DOI:10.15251/CL.2024.216.449

Abstract In this letter, first-principle computations are utilized in order to explore the Cd-based chalcogenide spinels CdSm₂(S/Se)₄ spinels. Generalized gradient approximation (PBEsolGGA) and modified Becke-Johnson potential (mBJ) are used to calculate structural, mechanical, spin-polarized electronic and magnetic features. The optimization analysis demonstrates that ferromagnetic contends of both chalcogenides releases a greater amount of energy than the anti-ferromagnetic contends. Further, structural and thermodynamic stability are justified through the calculations Born stability criteria and formation energy. Additionally, mechanical features indicate both chalcogenides are ductile in nature through calculations of Poisson's and Pugh ratios. Curie temperature (Tc) in terms of More >

M. Fida^a, Nasarullah^a, S. A. Aldaghfag^b, M. Yaseen^a,*, M. Ishfaq^a

Chalcogenide Letters, Vol.20, No.8, pp. 559-562, 2023, DOI:10.15251/CL.2023.208.559

Abstract The structural, magnetic, optoelectronic, and thermoelectric (TE) characteristics of Nd₂MgX₄ (X = S, Se) are determined by utilizing the density functional theory (DFT) based full potential linearized augmented plane wave (FP-LAPW) method as employed in WEIN2k code. The exchange and correlation energies along with Coulomb interactions are brought into consideration by employing local density of approximation with Hubbard model (LDA+U). Tolerance (τ) factor and formation enthalpy were utilized to confirm the stability of both spinels. τ values are 0.70 and 0.68, and formation enthalpy values are (ΔH_f) are -3.34 eV and -2.19 eV for Nd₂MgX₄ (X =… More >

Kenneth R. Podolak^*, Vihan A.W. Wickramasinghe, Gareth A. Mansfield, Alex M. Tuller

Sound & Vibration, Vol.55, No.3, pp. 235-240, 2021, DOI:10.32604/sv.2021.015008 - 15 July 2021

Abstract Ernst Chladni is called the father of acoustics for his work, which includes investigating patterns formed by vibrating plates. Understanding these patterns helps research involving standing waves and other harmonic behaviors, including studies of single electron orbits in atoms. Our experiment vibrates circular plates which result in well-known patterns. Alternatively to traditional experiments that used sand or salt, we use magnetic materials, namely iron filings and nickel powder. We then manipulate the patterns by applying a localized external magnetic field to one of the rings that moves a segment of the magnetic material in that More >