First-principles investigation of multifaceted properties; lattice dynamic, structural stability, mechanical, electronic, magnetic and thermodynamic response of Alkali metals-based semi Heusler alloys
Fuente:
arXiv
Saved in:
| Main Authors: | Diwaker, Gupta, Shyam L., Anupam, Kumar, Sumit, Fayaz, Aadil, Kumar, Ashwani |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
First Principle Analysis of Novel Half Heusler Alloys VPdZ (Z= Ge, Sn) for thermodynamic, spintronics and optoelectronic applications
by: Kumar, Ashwani, et al.
Published: (2024)
by: Kumar, Ashwani, et al.
Published: (2024)
Spin-polarized DFT calculations for physical properties of novel KVSb half-Heusler compound for spintronic and thermodynamic applicability
by: Kumar, Ashwani, et al.
Published: (2024)
by: Kumar, Ashwani, et al.
Published: (2024)
Computational Studies of NaVTe Half Heusler Alloy for Green Energy Applications
by: Kumar, Sumit, et al.
Published: (2025)
by: Kumar, Sumit, et al.
Published: (2025)
First-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH$_3$ (X = Li, K)
by: Anupam, et al.
Published: (2024)
by: Anupam, et al.
Published: (2024)
Ab-initio investigations of novel potential all-d metal Heusler alloys Co$_2$MnNb
by: Kumar, Sumit, et al.
Published: (2024)
by: Kumar, Sumit, et al.
Published: (2024)
Computational insights into Cobalt-based novel half-Heusler alloy for sustainable energy applications
by: Kumar, Sumit, et al.
Published: (2025)
by: Kumar, Sumit, et al.
Published: (2025)
Exploring PdCrAs Half-Heusler Alloy for Sustainable Energy Solutions: An Ab-initio Study
by: Singh, Rajinder, et al.
Published: (2025)
by: Singh, Rajinder, et al.
Published: (2025)
Thermoelectric Potential of NaVAs Half-Heusler Alloy: Insights from Ab-initio Calculations
by: Singh, Rajinder, et al.
Published: (2025)
by: Singh, Rajinder, et al.
Published: (2025)
Effects of metals (X = Pd, Ag, Cd ) on structural, electronic, mechanical, thermoelectric and hydrogen storage properties of LiXH$_3$ perovskites
by: Anupam, et al.
Published: (2024)
by: Anupam, et al.
Published: (2024)
Effects of metals (X = Zn, Co) on structure, electronic bands and gravimetric capacity of KXH$_3$ hydrides
by: Anupam, et al.
Published: (2024)
by: Anupam, et al.
Published: (2024)
Investigations of the Effects of Pressure on the Structural and Electronic Properties of Co$_2$VZ (Z = Al, Be) Full Heusler Alloy: A Comparative Study Using DFT
by: Kumar, Sumit, et al.
Published: (2024)
by: Kumar, Sumit, et al.
Published: (2024)
Density Functional Theory Analysis of Na3AgO: Assessing its Viability as a Sustainable Material for Solar Energy Applications
by: Kumar, Vipan, et al.
Published: (2025)
by: Kumar, Vipan, et al.
Published: (2025)
First‐principles calculations to investigate electronic thermodynamic and optical properties of the RbScO2 alloy
by: Soukaina Dahri, et al.
Published: (2024)
by: Soukaina Dahri, et al.
Published: (2024)
Low magnetic moment and unconventional magneto-transport in half-Heusler alloy CoVGe
by: Kumar, Ravinder, et al.
Published: (2026)
by: Kumar, Ravinder, et al.
Published: (2026)
Machine-learning assistant DFT study of half-metallic full-Heusler alloy N2CaNa: structural, electronic, mechanical, and thermodynamics properties
by: Ettah, E. B., et al.
Published: (2026)
by: Ettah, E. B., et al.
Published: (2026)
First principles investigation of phase stability in the B-Pt alloy system
by: Widom, Michael
Published: (2024)
by: Widom, Michael
Published: (2024)
Experimental realization of a high Curie temperature CoFeRuSn quaternary Heusler alloy for spintronic applications
by: Kumar, Ravinder, et al.
Published: (2023)
by: Kumar, Ravinder, et al.
Published: (2023)
Surface properties of Co$_2$MnAl Heusler alloy
by: Kumar, Amar, et al.
Published: (2025)
by: Kumar, Amar, et al.
Published: (2025)
First-principles investigation of thermodynamics and electronic transitions in vacancy-ordered rare-earth perovskite nickelates
by: Bhagat, Devang, et al.
Published: (2024)
by: Bhagat, Devang, et al.
Published: (2024)
First-principles study of optoelectronic and thermoelectronic properties of the ScAgC half-Heusler compound
by: Solet, Vinod Kumar, et al.
Published: (2022)
by: Solet, Vinod Kumar, et al.
Published: (2022)
First‐principles calculations to investigate structural, electronic, optical, and transport properties of half‐Heusler VFeZ (Z = N and P) compounds
by: Perpetua Wanjiru Muchiri, et al.
Published: (2024)
by: Perpetua Wanjiru Muchiri, et al.
Published: (2024)
Significant first-principles electron-phonon coupling effects in the LiZnAs and ScAgC half-Heusler thermoelectrics
by: Solet, Vinod Kumar, et al.
Published: (2025)
by: Solet, Vinod Kumar, et al.
Published: (2025)
Al$_2$MnCu: A magnetically ordered member of the Heusler alloy family despite having a valence electron count of 24
by: Bhowmik, Soumya, et al.
Published: (2025)
by: Bhowmik, Soumya, et al.
Published: (2025)
Structural and chemical disorder in Ni$_2$MnGa Heusler alloy investigated by nuclear magnetic resonance
by: Chlan, Vojtěch, et al.
Published: (2025)
by: Chlan, Vojtěch, et al.
Published: (2025)
Rare observation of spin-gapless semiconducting characteristics and related band topology of quaternary Heusler alloy CoFeMnSn
by: Gupta, Shuvankar, et al.
Published: (2023)
by: Gupta, Shuvankar, et al.
Published: (2023)
Magnetic, transport and electronic properties of Ni$_2$FeAl Heusler alloy nanoparticles: Experimental and theoretical investigation
by: Yadav, Priyanka, et al.
Published: (2026)
by: Yadav, Priyanka, et al.
Published: (2026)
Novel Heusler Materials for Spintronic Applications: Growth, Characterizations and Applications
by: Kumar, Ravinder, et al.
Published: (2025)
by: Kumar, Ravinder, et al.
Published: (2025)
On stability of distance under some tensor products and some calculations
by: Kumar, Sumit
Published: (2026)
by: Kumar, Sumit
Published: (2026)
First-principles calculations of the structural and electronics properties of YInN alloy
by: G. Patricia Abdel Rahim-Garzón
Published: (2021)
by: G. Patricia Abdel Rahim-Garzón
Published: (2021)
Layered XZnBi (X = Rb, Cs) with Pudding-Mold Bands, Complex Fermi Surfaces and Low Thermal Conductivity: A First-Principles Study of Thermoelectric Properties
by: Wani, Aadil Fayaz, et al.
Published: (2025)
by: Wani, Aadil Fayaz, et al.
Published: (2025)
Design optimization and robustness analysis of rigid-link flapping mechanisms
by: Nishad, Shyam Sunder, et al.
Published: (2025)
by: Nishad, Shyam Sunder, et al.
Published: (2025)
First-principles study of exchange stiffness constant of half-metallic Heusler alloys Co2MnZ (Z= Si, Al) at finite temperatures: Spin fluctuation-induced effective half metallicity
by: Yamashita, Shogo, et al.
Published: (2024)
by: Yamashita, Shogo, et al.
Published: (2024)
Tailoring hard magnetic properties of Fe2MnSn Heusler alloy via interstitial modification: A first-principles approach
by: Jami, Junaid, et al.
Published: (2025)
by: Jami, Junaid, et al.
Published: (2025)
Effect of antisite disorder on the magnetic and transport properties of a quaternary Heusler alloy
by: Dixit, Srishti, et al.
Published: (2024)
by: Dixit, Srishti, et al.
Published: (2024)
A model of full thermodynamic stabilization of nanocrystalline alloys
by: Hussein, Omar, et al.
Published: (2025)
by: Hussein, Omar, et al.
Published: (2025)
First principles studies applied to Mn-Ga alloys: magnetism and surface reconstructions
by: Ricardo Miguel Ruvalcaba Briones
Published: (2022)
by: Ricardo Miguel Ruvalcaba Briones
Published: (2022)
Machine Learning algorithms for optimization of magnetocaloric effect in all-d-metal Heusler alloys
by: Baigutlin, Danil, et al.
Published: (2024)
by: Baigutlin, Danil, et al.
Published: (2024)
THz probing of non-trivial topological states in Co2MnGe Heusler alloy thin films
by: Yadav, Ekta, et al.
Published: (2024)
by: Yadav, Ekta, et al.
Published: (2024)
A DFT calculation of electronic structures, magnetic, and thermoelectric properties of the new equiatomic quaternary Heusler alloy RuTiCrSi
by: Samiha Dergal, et al.
Published: (2024)
by: Samiha Dergal, et al.
Published: (2024)
First principle study of electronic, magnetic and thermoelectric properties of Co$_2$YPb (Y = Tc, Ti, Zr and Hf) full Heusler: Application to embedded automotive systems
by: Saidi, N., et al.
Published: (2025)
by: Saidi, N., et al.
Published: (2025)
Similar Items
-
First Principle Analysis of Novel Half Heusler Alloys VPdZ (Z= Ge, Sn) for thermodynamic, spintronics and optoelectronic applications
by: Kumar, Ashwani, et al.
Published: (2024) -
Spin-polarized DFT calculations for physical properties of novel KVSb half-Heusler compound for spintronic and thermodynamic applicability
by: Kumar, Ashwani, et al.
Published: (2024) -
Computational Studies of NaVTe Half Heusler Alloy for Green Energy Applications
by: Kumar, Sumit, et al.
Published: (2025) -
First-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH$_3$ (X = Li, K)
by: Anupam, et al.
Published: (2024) -
Ab-initio investigations of novel potential all-d metal Heusler alloys Co$_2$MnNb
by: Kumar, Sumit, et al.
Published: (2024)