Electronic, optical, and transport properties of alkali metal oxides (Cs2O): A DFT study
Fuente:
arXiv
Saved in:
| Main Authors: | Kumari, Anjali, Kumar, Kamal, Mishra, Abhishek Kumar, Sharma, Ramesh |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
DFT study of structural, electronic and optical properties of 2D MgO monolayer under bi-axial mechanical strain
by: Kumar, Kamal, et al.
Published: (2024)
by: Kumar, Kamal, et al.
Published: (2024)
Unveiling the potential of BCN-Biphenylene monolayer as a high-performance anode material for alkali metal ion batteries: A first-principles study
by: Parida, Ajay Kumar Prakash
Published: (2023)
by: Parida, Ajay Kumar Prakash
Published: (2023)
A DFT study of B-doped graphene as a metal-anchor: effects of oxidation and strain
by: Veličković, Nikola, et al.
Published: (2026)
by: Veličković, Nikola, et al.
Published: (2026)
Engineering the electronic structure of TiO$_2$ by transition metal doping: A First Principles DFT Study
by: Mishra, Vikash, et al.
Published: (2026)
by: Mishra, Vikash, et al.
Published: (2026)
Bridgman method grown $Cs_2Li_3I_5$: an inter-alkali metal scintillator with high lithium content
by: Krehlikova, Katerina, et al.
Published: (2026)
by: Krehlikova, Katerina, et al.
Published: (2026)
NH3 gas sensing over 2D Phosphorene sheet: A First-Principles Study
by: Kumar, Naresh, et al.
Published: (2024)
by: Kumar, Naresh, et al.
Published: (2024)
Leakage-Aware Bandgap Prediction on the JARVIS-DFT Dataset: A Phase-Wise Feature Analysis
by: Sharma, Gaurav Kumar
Published: (2025)
by: Sharma, Gaurav Kumar
Published: (2025)
Hexagonal BeX (X: S, Te) monolayer as potential electrode material for alkali metal-ion batteries: A DFT perspective
by: Jadav, Hetvi, et al.
Published: (2025)
by: Jadav, Hetvi, et al.
Published: (2025)
A first-principles study of structural, elastic, electronic, and transport properties of Cs2Te
by: Wang, Gaoxue, et al.
Published: (2024)
by: Wang, Gaoxue, et al.
Published: (2024)
Enhanced magnetic and optical properties of oxygen deficient TiO$_{2-δ}$ nanoparticles synthesized by environment-friendly green route using whole plant extract of Phyllanthus niruri
by: Mishra, Latika, et al.
Published: (2025)
by: Mishra, Latika, et al.
Published: (2025)
Electronic structure reorganization in MPS3 via d-shell-selective alkali metal doping
by: Nitschke, Jonah Elias, et al.
Published: (2025)
by: Nitschke, Jonah Elias, et al.
Published: (2025)
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)
Group-I lead oxide X$_2$PbO$_3$ (X=Li, Na, K, Rb, and Cs) glass-like materials for energy applications: A hybrid-DFT study
by: Zosiamliana, R., et al.
Published: (2025)
by: Zosiamliana, R., et al.
Published: (2025)
Active Control of Topological Exceptional Points in Non-Hermitian Metasurfaces
by: Sharma, Parul, et al.
Published: (2026)
by: Sharma, Parul, et al.
Published: (2026)
Xenon-metal pair formation in UO2 investigated using DFT+U
by: Malakkal, Linu, et al.
Published: (2024)
by: Malakkal, Linu, et al.
Published: (2024)
Charge redistribution at metal-ZrO2 interfaces: A combined DFT and continuum electrostatic study
by: Wang, Ximeng, et al.
Published: (2026)
by: Wang, Ximeng, et al.
Published: (2026)
Synergistic Interplay between Surface Polarons and Adsorbates for Photocatalytic Nitrogen Reduction on TiO$_2$(110)
by: Dey, Manoj, et al.
Published: (2026)
by: Dey, Manoj, et al.
Published: (2026)
Understanding the transport behaviour of PbSe: A combined experimental and computational study
by: Sihmar, Isha, et al.
Published: (2024)
by: Sihmar, Isha, et al.
Published: (2024)
Electron transport properties of heterogeneous interfaces in solid electrolyte interphase on lithium metal anodes
by: Zhou, Xiangyi, et al.
Published: (2025)
by: Zhou, Xiangyi, et al.
Published: (2025)
Tuning the properties of metal surfaces by alloying: a DFT study of H2, O2, and H2O adsorption on Ni-Fe surfaces
by: Li, Changyuan, et al.
Published: (2024)
by: Li, Changyuan, et al.
Published: (2024)
Crystal Growth and anisotropic magneto-transport properties of semimetallic LaNiSb3
by: Singh, Haribrahma, et al.
Published: (2026)
by: Singh, Haribrahma, et al.
Published: (2026)
Electronic structure of CrO$_2$ probed by NMR and DFT
by: Chlan, Vojtěch, et al.
Published: (2023)
by: Chlan, Vojtěch, et al.
Published: (2023)
Electron and phonon topology in transition metal material TaSi
by: Sen, Saurabh Kumar, et al.
Published: (2025)
by: Sen, Saurabh Kumar, et al.
Published: (2025)
Unraveling the electronic, vibrational, thermodynamic, optical and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ from first-principles calculations
by: Pradhan, Debidutta, et al.
Published: (2025)
by: Pradhan, Debidutta, et al.
Published: (2025)
Revisiting magnetic exchange interactions in transition metal doped Bi$_2$Se$_3$ using DFT+MFT
by: Sarkar, Sagar, et al.
Published: (2024)
by: Sarkar, Sagar, et al.
Published: (2024)
Prediction of atomic H adsorption energies in metalloid doped MSSe (M = Mo/W) Janus layers: A combined DFT and machine learning study
by: Tejaswini, G., et al.
Published: (2025)
by: Tejaswini, G., et al.
Published: (2025)
Mechanisms of alkali ionic transport in amorphous oxyhalides solid state conductors
by: Binci, Luca, et al.
Published: (2026)
by: Binci, Luca, et al.
Published: (2026)
Thermodynamic stability and vibrational properties of multi-alkali antimonides
by: Santana-Andreo, Julia, et al.
Published: (2024)
by: Santana-Andreo, Julia, et al.
Published: (2024)
Geometry, electronic structure, and optical properties of boron cages: A first-principles DFT study
by: Chavan, Kashinath T., et al.
Published: (2025)
by: Chavan, Kashinath T., et al.
Published: (2025)
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)
InterMat: Accelerating Band Offset Prediction in Semiconductor Interfaces with DFT and Deep Learning
by: Choudhary, Kamal, et al.
Published: (2024)
by: Choudhary, Kamal, et al.
Published: (2024)
Classification analysis of transition-metal chalcogenides and oxides using quantum machine learning
by: Vedavyasa, Kurudi V, et al.
Published: (2024)
by: Vedavyasa, Kurudi V, et al.
Published: (2024)
Novel entropy-stabilized fluorite oxides with multifunctional properties
by: Kumar, Ashutosh, et al.
Published: (2023)
by: Kumar, Ashutosh, et al.
Published: (2023)
Emission enhancement and bandgap narrowing in $Cs_2TeBr_6$ under pressure
by: Samanta, Debabrata, et al.
Published: (2024)
by: Samanta, Debabrata, et al.
Published: (2024)
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)
Data-driven Design of High Pressure Hydride Superconductors using DFT and Deep Learning
by: Wines, Daniel, et al.
Published: (2023)
by: Wines, Daniel, et al.
Published: (2023)
Many-body \textit{ab initio} study of quasiparticles, optical excitations, and excitonic properties in LiZnAs and ScAgC for photovoltaic applications
by: Solet, Vinod Kumar, et al.
Published: (2025)
by: Solet, Vinod Kumar, et al.
Published: (2025)
Carbon Nitride: Physical properties and Applications
by: Kumari, Shilpi, et al.
Published: (2025)
by: Kumari, Shilpi, et al.
Published: (2025)
Role of stress/strain in tailoring the magnetic and transport properties of magnetic thin films and multilayers
by: Dev, Arun Singh, et al.
Published: (2024)
by: Dev, Arun Singh, et al.
Published: (2024)
Electronic and optical and topological properties of defects in bismuthene
by: Araujo, Gabriel Elyas Gama, et al.
Published: (2025)
by: Araujo, Gabriel Elyas Gama, et al.
Published: (2025)
Similar Items
-
DFT study of structural, electronic and optical properties of 2D MgO monolayer under bi-axial mechanical strain
by: Kumar, Kamal, et al.
Published: (2024) -
Unveiling the potential of BCN-Biphenylene monolayer as a high-performance anode material for alkali metal ion batteries: A first-principles study
by: Parida, Ajay Kumar Prakash
Published: (2023) -
A DFT study of B-doped graphene as a metal-anchor: effects of oxidation and strain
by: Veličković, Nikola, et al.
Published: (2026) -
Engineering the electronic structure of TiO$_2$ by transition metal doping: A First Principles DFT Study
by: Mishra, Vikash, et al.
Published: (2026) -
Bridgman method grown $Cs_2Li_3I_5$: an inter-alkali metal scintillator with high lithium content
by: Krehlikova, Katerina, et al.
Published: (2026)