Processing, microstructure, properties, and applications of MoSi2-containing composites: a review
Intermetallic molybdenum disilicide (MoSi2) possesses unique physical, chemical, thermal,
and mechanical properties that make it compatible with some ceramics (SiC, Al2O3) and …
and mechanical properties that make it compatible with some ceramics (SiC, Al2O3) and …
Anisotropic elastic, opto-electronic and photocatalytic properties of BaTi2O5: first-principles calculations
In this work, the structural, elastic, electronic, photocatalytic and optical properties of BaTi 2
O 5 have been explored using density functional theory (DFT). A comprehensive study of …
O 5 have been explored using density functional theory (DFT). A comprehensive study of …
First-principle calculations to investigate mechanical and acoustical properties of predicted stable halide Perovskite ABX3
This work examines the predicted stable halide perovskites' elastic, acoustical, and thermal
characteristics. The work uses the Full Potential-Linearized Augmented Plane Wave (FP …
characteristics. The work uses the Full Potential-Linearized Augmented Plane Wave (FP …
Atomic position dependent structural, electronic, mechanical and optical properties of ZnSbF3 fluoroperovskites
TK Ghosh, MNH Liton, A Chakraborty… - Materials Science in …, 2025 - Elsevier
In this study, we have investigated the structural, electronic, mechanical, and optical
properties of ZnSbF 3-I and ZnSbF 3-II by altering the position of Zn and Sb through density …
properties of ZnSbF 3-I and ZnSbF 3-II by altering the position of Zn and Sb through density …
Unlocking the mechanical, thermodynamic and thermoelectric properties of NaSbS2: A DFT scheme
The present study focuses on the ground state mechanical, acoustic, thermodynamic and
electronic transport properties of NaSbS 2 polymorphs using the density functional theory …
electronic transport properties of NaSbS 2 polymorphs using the density functional theory …
[HTML][HTML] Acoustic and thermodynamic properties of cesium niobate under pressure and temperature: A DFT study
The effect of pressure and temperature on acoustic and thermodynamic properties of cubic
CsNbO 3 (CNO) has been demonstrated using first principles method. The high values of …
CsNbO 3 (CNO) has been demonstrated using first principles method. The high values of …
DFT Insights into Mechanical, Vibrational, Electronic, and Optical Properties of Bulk WSe2 Dichalcogenide
The elastic, vibrational, and electro-optical properties of WSe2 using the first-principles
approach have been explored in this study. The lattice parameters of WSe2 are consistent …
approach have been explored in this study. The lattice parameters of WSe2 are consistent …
Exploring the Structural, Elastic, and Optoelectronic Properties of ScCuO3 via Density Functional Theory Approach
SA Shupra, M Sumaiya, M Al‐Helal… - … status solidi (b), 2024 - Wiley Online Library
A thorough analysis of the structural, elastic, electronic, and optical properties of ScCuO3
perovskite is conducted using density functional theory. The compound's structural and …
perovskite is conducted using density functional theory. The compound's structural and …
[HTML][HTML] Tuning microstructural and oxidative characteristics of direct current-and high-power pulsed magnetron sputtered MoSi2-based thin films
S Richter, A Bahr, P Kutrowatz, T Wojcik… - Journal of Vacuum …, 2024 - pubs.aip.org
A comparative study on nonreactively direct current magnetron sputtered (DCMS) and high-
power pulsed magnetron sputtered (HPPMS) MoSi 2-based coatings has been implemented …
power pulsed magnetron sputtered (HPPMS) MoSi 2-based coatings has been implemented …
Exploration of the structural, vibrational, electronic, mechanical and thermal properties of Ru 4 Al 3 B 2 and Ru 9 Al 3 B 8: a DFT study
The structural, dynamical, electro-optical, mechanical, and thermal characteristics of the
newly synthesized intermetallic compounds Ru4Al3B2 and Ru9Al3B8 have been studied …
newly synthesized intermetallic compounds Ru4Al3B2 and Ru9Al3B8 have been studied …