Cover Image

Ab initio study of strain-driven vacancy clustering in aluminum

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Bhowmik, Sayan, Sharma, Abhiraj, Medford, Andrew J., Pask, John E., Suryanarayana, Phanish
Format:	Preprint
Published:	2025
Subjects:	Materials Science Mesoscale and Nanoscale Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Ab initio study of flexoelectricity in MXene monolayers
by: Kumar, Shashikant, et al.
Published: (2025)

Cyclic and helical symmetry-informed machine learned force fields: Application to lattice vibrations in carbon nanotubes
by: Sharma, Abhiraj, et al.
Published: (2024)

Spectral scheme for atomic structure calculations in density functional theory
by: Bhowmik, Sayan, et al.
Published: (2024)

Real-space Hubbard-corrected density functional theory
by: Bhowmik, Sayan, et al.
Published: (2025)

GPU acceleration of hybrid functional calculations in the SPARC electronic structure code
by: Jing, Xin, et al.
Published: (2025)

Version 2.0.0 -- SPARC: Simulation Package for Ab-initio Real-space Calculations
by: Zhang, Boqin, et al.
Published: (2023)

Cyclic- and helical-symmetry-adapted phonon formalism within density functional perturbation theory
by: Sharma, Abhiraj, et al.
Published: (2026)

Ab initio study of saddle-point excitons in monolayer SnS2
by: Bastos, Vinicius Alves, et al.
Published: (2026)

Ab initio and nuclear inelastic scattering studies of Fe$_3$Si/GaAs heterostructures
by: Sikora, O., et al.
Published: (2019)

Ab initio calculation of the nonequilibrium adsorption energy
by: Lee, Juho, et al.
Published: (2024)

Ab initio study of angle-resolved electron reflection spectroscopy of few-layer graphene
by: Paták, Aleš, et al.
Published: (2025)

Ab initio prediction of strain-tunable spin defects in quasi-1D TiS3 and NbS3 nanowires
by: Chapman, Jordan, et al.
Published: (2025)

Smooth Overlap of Spin Orientations: Machine Learning Exchange Fields for Ab-initio Spin Dynamics
by: Gao, Yuqiang, et al.
Published: (2024)

Ab initio Maxwell-Bloch Approach for X-Ray Excitations in Two-Dimensional Materials
by: Sturm, Joris, et al.
Published: (2025)

Ab initio study of magnetoresistance effect in $\mathrm{Mn_{3}Sn}/\mathrm{MgO}/\mathrm{Mn_{3}Sn}$ antiferromagnetic tunnel junction
by: Tanaka, Katsuhiro, et al.
Published: (2025)

Ab initio property characterisation of thousands of previously unknown 2D materials
by: Lyngby, Peder, et al.
Published: (2024)

Ab-initio Van der Waals electrodynamics: polaritons and electron scattering from plasmons and phonons in BN-capped graphene
by: Macheda, Francesco, et al.
Published: (2024)

Valley polarization of Landau levels driven by residual strain in the ZrSiS surface band
by: Butler, Christopher J., et al.
Published: (2024)

Impact of strain on the SOT-driven dynamics of thin film Mn$_3$Sn
by: Shukla, Ankit, et al.
Published: (2023)

Ab initio study of anomalous temperature dependence of resistivity in V-Al alloys
by: Csire, Gabor, et al.
Published: (2025)

Ab initio prediction of anomalous Hall effect in antiferromagnetic CaCrO$_3$
by: Nguyen, Thi Phuong Thao, et al.
Published: (2023)

The properties of the nitrogen-vacancy center in milled chemical vapor deposition nanodiamonds
by: Mameli, Alessandro, et al.
Published: (2025)

Current-induced brightening of vacancy-related emitters in hexagonal boron nitride
by: Steiner, Corinne, et al.
Published: (2024)

Electron-beam-induced adatom-vacancy-complexes in mono- and bilayer phosphorene
by: Speckmann, Carsten, et al.
Published: (2024)

Effect of arsenic doping on structural and electronic properties of MoSe$_2$ monolayer: an ab initio study
by: Bradji, B., et al.
Published: (2024)

Ab Initio Generalized Langevin Equation
by: Xie, Pinchen, et al.
Published: (2022)

First principles band structure of interacting phosphorus and boron/aluminum $δ$-doped layers in silicon
by: Campbell, Quinn T., et al.
Published: (2025)

Guidelines for band gap opening in graphene superlattices with periodic π-vacancy distribution
by: Dzujah, Diyan Unmu, et al.
Published: (2026)

Defect engineering and effect of vacancy concentration on the electrochemical performance of V-based MXenes
by: Qin, Leiqiang, et al.
Published: (2025)

Influence of sulphur vacancies on ultrafast charge separation in WS$_2$-graphene heterostructures
by: Gradl, Johannes, et al.
Published: (2026)

An ab-initio study on engineering quantum anomalous Hall effect in compensated antiferromagnet MnBi$_{2}$Te$_{4}$
by: Li, Zeyu, et al.
Published: (2024)

Surface transfer doping of hydrogen-terminated diamond probed by shallow nitrogen-vacancy centers
by: Kageura, Taisuke, et al.
Published: (2023)

Refining Au/Sb alloyed ohmic contacts in undoped Si/SiGe strained quantum wells
by: Kynshi, LuckyDonald L, et al.
Published: (2025)

Quantitative determination of twist angle and strain in Van der Waals moiré superlattices
by: Tran, Steven J., et al.
Published: (2024)

Uniaxial strain-driven ferroelastic domain control in LaAlO3
by: Roeper, Matthias, et al.
Published: (2026)

Anisotropic sub-band splitting mechanisms in strained HgTe: a first principles study
by: Ketkar, Eeshan, et al.
Published: (2024)

Deterministic Switching in Altermagnets via Asymmetric Sublattice Spin Current
by: Sarkar, Sayan, et al.
Published: (2025)

Microscopic screening theory for excitons in two-dimensional materials: A bridge between effective models and ab initio descriptions
by: Ninhos, P., et al.
Published: (2026)

Spin-orbit torque in single-molecule junctions from ab initio
by: Camarasa-Gómez, María, et al.
Published: (2024)

Electron energy-loss spectrum and exciton band structure of ${\mathrm{WSe}}_{2}$ monolayer studied by ab initio Bethe-Salpeter equation calculations
by: Shih, Yun-Chen, et al.
Published: (2024)