DFT based investigation of structural, elastic, optoelectronic, thermophysical and superconducting state properties of binary Mo3P at different pressures DOI Creative Commons
Md. Sohel Rana, Razu Ahmed,

Md. Sajidul Islam

и другие.

Next Materials, Год журнала: 2024, Номер 6, С. 100284 - 100284

Опубликована: Авг. 2, 2024

Язык: Английский

Ab-initio insights into the physical properties of XIr3 (X = La, Th) superconductors: A comparative analysis DOI Creative Commons

Md. Sajidul Islam,

Razu Ahmed, M. M. Hossain

и другие.

Results in Materials, Год журнала: 2024, Номер 22, С. 100568 - 100568

Опубликована: Март 27, 2024

Here we report the structural, elastic, bonding, thermo-mechanical, optoelectronic and superconducting state properties of recently discovered XIr3 (X = La, Th) superconductors utilizing density functional theory (DFT) using two different exchange-correlations functionals. The thermal optical these compounds are investigated for first time. calculated lattice parameters in reasonable agreement to those found literature. In ground state, both mechanically stable possess highly ductile character, high machinability, low Debye temperature, bond hardness significantly melting point. conductivities be very which suggests that they can used insulation purpose. population analysis charge distribution map confirm presence ionic covalent bonds with playing dominant roles. band structure DOS profiles indicate metallic character compounds. It is also from profile Ir 5d-states dominate near Fermi level. Unlike significant anisotropy observed elastic properties, all constants exhibit almost isotropic behavior. parameters' correspond well electronic features. We have estimated transition temperature (Tc) this work. values Tc LaIr3 ThIr3 4.91 K 5.01 K, respectively. compared contrasted physical study.

Язык: Английский

Процитировано

1
Pressure dependent physical properties of a potential high-TC superconductor ScYH6: Insights from first-principles study DOI
Md. Ashraful Alam, F. Parvin, S. H. Naqib

и другие.

Solid State Sciences, Год журнала: 2024, Номер 152, С. 107551 - 107551

Опубликована: Апрель 26, 2024

Язык: Английский

Процитировано

1
Predicting the stability and exploring the fundamental physical properties of tetragonal Gd2O3: A comprehensive first-principles investigation DOI Creative Commons
Minhajul Islam,

Md Abdur Rob Sheikh

Nuclear Materials and Energy, Год журнала: 2024, Номер 41, С. 101734 - 101734

Опубликована: Сен. 12, 2024

Язык: Английский

Процитировано

1
Effect of yttrium addition on structural, mechanical and thermodynamic properties of tungsten-yttrium alloys DOI Creative Commons
Sabahattin Akbaş, Mustafa Kemal Öztürk, Fatih Aydoğan

и другие.

Nuclear Materials and Energy, Год журнала: 2024, Номер 42, С. 101860 - 101860

Опубликована: Дек. 30, 2024

Язык: Английский

Процитировано

1
DFT based investigation of structural, elastic, optoelectronic, thermophysical and superconducting state properties of binary Mo3P at different pressures DOI Creative Commons
Md. Sohel Rana, Razu Ahmed,

Md. Sajidul Islam

и другие.

Next Materials, Год журнала: 2024, Номер 6, С. 100284 - 100284

Опубликована: Авг. 2, 2024

Язык: Английский

Процитировано

0