Saved in:
| Main Authors: | Ahmad, Rasool, Crowhurst, Jonathan C., Bonev, Stanimir A. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2505.16926 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Nonadiabaticity under compression in metastable carbon monoxide-nitroxide mixtures
by: Paul, Reetam, et al.
Published: (2025)
by: Paul, Reetam, et al.
Published: (2025)
Prediction of an alternative route to polymeric carbon dioxide: A metastable energetic material
by: Paul, Reetam, et al.
Published: (2024)
by: Paul, Reetam, et al.
Published: (2024)
Momentum- and frequency-resolved collective electronic excitations in solids: insights from spectroscopy and first-principles calculations
by: Leon, Dario A., et al.
Published: (2026)
by: Leon, Dario A., et al.
Published: (2026)
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)
The alloying of first-principles calculations with quasiparticle methodologies for the converged solution of the quantum many-electron states in the correlated compound Iron monoxide
by: Das, Suvadip
Published: (2025)
by: Das, Suvadip
Published: (2025)
Computational study of alpha-ray induced electron excitation in diamonds for radiation detection
by: Umemoto, Atsuhiro, et al.
Published: (2025)
by: Umemoto, Atsuhiro, et al.
Published: (2025)
Precise quantum-geometric electronic properties from first principles
by: Martins, José Luís, et al.
Published: (2025)
by: Martins, José Luís, et al.
Published: (2025)
Optically induced spin Hall current in monolayer Janus NbSSe: A first-principles study
by: Adhikary, Souren, et al.
Published: (2025)
by: Adhikary, Souren, et al.
Published: (2025)
A first-principles study of Zn induced liquid metal embrittlement at bcc and fcc grain boundaries
by: Saikia, Ujjal, et al.
Published: (2024)
by: Saikia, Ujjal, et al.
Published: (2024)
EPW-VASP interface for first-principles calculations of electron-phonon interactions
by: Radevych, Danylo, et al.
Published: (2025)
by: Radevych, Danylo, et al.
Published: (2025)
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)
Non-perturbative theory of the electron-phonon coupling and its first-principles implementation
by: Bianco, Raffaello, et al.
Published: (2023)
by: Bianco, Raffaello, et al.
Published: (2023)
Study of the structural and electronic properties of semimetallic InBi: first-principles calculation of compound with peculiarities of the electronic structure
by: Pozhyvatenko, V. V.
Published: (2024)
by: Pozhyvatenko, V. V.
Published: (2024)
First-principles study of metal-biphenylene interfaces: structural, electronic, and catalytic properties
by: Lebre, Maicon P., et al.
Published: (2025)
by: Lebre, Maicon P., et al.
Published: (2025)
Magnetic properties of nitrogen doped diamond: A first principles study
by: Luitel, Homnath
Published: (2025)
by: Luitel, Homnath
Published: (2025)
Rocksalt rare-earth monoxides as electronic and magnetic materials
by: Fukumura, Tomoteru, et al.
Published: (2025)
by: Fukumura, Tomoteru, et al.
Published: (2025)
Unraveling many-body effects in ZnO: Combined study using momentum-resolved electron energy-loss spectroscopy and first-principles calculations
by: Leon, Dario A., et al.
Published: (2024)
by: Leon, Dario A., et al.
Published: (2024)
Uniform electron benchmark for the first-principles $GW_{0}$-Eliashberg theory
by: Akashi, Ryosuke, et al.
Published: (2025)
by: Akashi, Ryosuke, et al.
Published: (2025)
Twisted bilayer graphene from first-principles: structural and electronic properties
by: Zhu, Albert, et al.
Published: (2026)
by: Zhu, Albert, et al.
Published: (2026)
Hubbard energy dependence of electronic structures in rare-earth monoxides
by: Tago, Mizuki, et al.
Published: (2025)
by: Tago, Mizuki, et al.
Published: (2025)
Current-induced spin polarization in chiral Tellurium: a first-principles quantum transport study
by: Gupta, Reena, et al.
Published: (2023)
by: Gupta, Reena, et al.
Published: (2023)
Ti substitution on Fe sites significantly changes the electronic properties of orthorhombic LaFeO3 perovskites (A first-principles study)
by: Situmeang, Jesaya, et al.
Published: (2024)
by: Situmeang, Jesaya, et al.
Published: (2024)
Real-time simulations of laser-induced electron excitations in crystalline ZnO
by: Chen, Xiao, et al.
Published: (2025)
by: Chen, Xiao, et al.
Published: (2025)
Effect of Fe-doping on VS2 monolayer: A first-principles study
by: Jafari, Mirali, et al.
Published: (2024)
by: Jafari, Mirali, et al.
Published: (2024)
Dislocation-induced flexoelectricity in SrTiO$_3$ nanostructure from first principles
by: Yamauchi, Kunihiko, et al.
Published: (2024)
by: Yamauchi, Kunihiko, et al.
Published: (2024)
Excitation signatures of isochorically heated electrons in solids at finite wavenumber explored from first principles
by: Moldabekov, Zhandos A., et al.
Published: (2024)
by: Moldabekov, Zhandos A., et al.
Published: (2024)
Unconventional excitations and orbital-driven low-energy dispersions in chiral topological semimetals PdAsS, PdSbSe, and PdBiTe: a first-principles study
by: Pandey, Roopam, et al.
Published: (2026)
by: Pandey, Roopam, et al.
Published: (2026)
Tunable surface electron gas and effect of phonons in Sr$_2$CuO$_3$: A first-principles study
by: Du, Xin, et al.
Published: (2024)
by: Du, Xin, et al.
Published: (2024)
Nonlinear electron-phonon coupling drives light-induced symmetry switching in charge-density waves
by: Emeis, Christoph, et al.
Published: (2026)
by: Emeis, Christoph, et al.
Published: (2026)
Stainless steel in an electronically excited state
by: Medvedev, Nikita
Published: (2025)
by: Medvedev, Nikita
Published: (2025)
Thermodynamic properties of fcc lead: A scalar and fully relativistic first principle study
by: Thakur, Balaram, et al.
Published: (2025)
by: Thakur, Balaram, et al.
Published: (2025)
A first-principles study of bcc chromium beyond the generalized gradient approximation (GGA)
by: Partos, Alma, et al.
Published: (2026)
by: Partos, Alma, et al.
Published: (2026)
Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbons for application in lithium-ion batteries: a first-principles study
by: Tran, Thi Nhan, et al.
Published: (2024)
by: Tran, Thi Nhan, et al.
Published: (2024)
Iron-Arsenide monolayer as an anode materials for Lithium-ion batteries: A first-principles study
by: Kumar, Ajay, et al.
Published: (2025)
by: Kumar, Ajay, et al.
Published: (2025)
Mechanical properties of B12-based orthorhombic metal carboborides. A first principle study
by: Bystrenko, Oleksiy, et al.
Published: (2025)
by: Bystrenko, Oleksiy, et al.
Published: (2025)
Solute strengthening and softening from screw dislocation in BCC tantalum: A first-principles study
by: Feng, Jiajun, et al.
Published: (2024)
by: Feng, Jiajun, et al.
Published: (2024)
Exploring the structural, electronic, magnetic, and magneto-optical properties of double perovskites $\text{Ca}_2\text{TMIrO}_6$ (TM=Fe, Co) through first principles study
by: Touaibia, I., et al.
Published: (2024)
by: Touaibia, I., et al.
Published: (2024)
Strain-induced exciton mobility in layered WS2 from first principles
by: Kleiner, Amir, et al.
Published: (2025)
by: Kleiner, Amir, et al.
Published: (2025)
Energy profile and hopping barriers for small electron polarons at ferroelectric domain walls in bismuth ferrite from first principles
by: Körbel, Sabine
Published: (2025)
by: Körbel, Sabine
Published: (2025)
Thermodynamic and electronic properties of rutile Sn$_{1-x}$Ge$_x$O$_2$ alloys from first principles
by: Müller, Yann L., et al.
Published: (2026)
by: Müller, Yann L., et al.
Published: (2026)
Similar Items
-
Nonadiabaticity under compression in metastable carbon monoxide-nitroxide mixtures
by: Paul, Reetam, et al.
Published: (2025) -
Prediction of an alternative route to polymeric carbon dioxide: A metastable energetic material
by: Paul, Reetam, et al.
Published: (2024) -
Momentum- and frequency-resolved collective electronic excitations in solids: insights from spectroscopy and first-principles calculations
by: Leon, Dario A., et al.
Published: (2026) -
A first-principles study of structural, elastic, electronic, and transport properties of Cs2Te
by: Wang, Gaoxue, et al.
Published: (2024) -
The alloying of first-principles calculations with quasiparticle methodologies for the converged solution of the quantum many-electron states in the correlated compound Iron monoxide
by: Das, Suvadip
Published: (2025)