Zobrazeno 1 - 10
of 1 065
pro vyhledávání: '"bahmad, L."'
One of the most active classes of nanostructures is Fullerene C$_{20}$, which has been exploited as an active component in significant applications. In this investigation, we used Monte Carlo simulations to investigate the magnetic and magnetocaloric
Externí odkaz:
http://arxiv.org/abs/2411.07116
In the present work, we study the structural, electronic and optical properties of Sodium Based Cubic Fluoro-perovskites: NaBF$_3$ (B= Ca, Mg or Zn) using DFT and TDDFT methods. We performed the density functional theory DFT calculations under the mB
Externí odkaz:
http://arxiv.org/abs/2408.09161
To investigate the physical characteristics of the half-Heusler BaHgSn molecule, we used theoretical calculations within the Density Functional Theory (DFT) framework utilizing the LSDA+mBJ technique in this study. Using the optimal lattice parameter
Externí odkaz:
http://arxiv.org/abs/2403.08483
The electronic, thermodynamic, thermoelectric and optical properties of Ca(InP)2 compound: DFT study
In this study, we investigate the electronic, optical, thermoelectric, and thermodynamic properties of Ca(InP)2 through comprehensive theoretical calculations Ca(InP)2 is a compound with promising applications in materials science and electronics. Us
Externí odkaz:
http://arxiv.org/abs/2312.01102
In this work, we used the density functional calculation (DFT) implemented in the Quantum Espresso software, using the approximations (GGA, GGA+U) to illustrate the electronic and magnetic properties of the perovskite CaMnO$_3$. It has been found tha
Externí odkaz:
http://arxiv.org/abs/2310.18782
In this article, we examine the structure and the electronic, optical, and magnetic properties of ZnTe before and after doping with the transition metal Mn. The ab initio calculations of this compound were performed using the full potential linearize
Externí odkaz:
http://arxiv.org/abs/2310.14077
In this study, we carried out an investigation of the EuCoA$_2$As$_2$ compound, focusing on its various physical properties. Our analysis covered the structural, magnetic, electronic, optical, thermodynamic and thermoelectric characteristics of this
Externí odkaz:
http://arxiv.org/abs/2310.09007
Using the density functional theory (DFT) in combination with Boltzmann transport theory, the influence of Mg concentrations (x) doping on the thermoelectric properties of Hg1-xMgxSe ternary alloys was systematically investigated. The generalized gra
Externí odkaz:
http://arxiv.org/abs/2303.15179
Publikováno v:
In Inorganic Chemistry Communications December 2024 170 Part 2
Publikováno v:
In Solid State Communications 15 November 2024 392