:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Nestoklon, M. O., Saviot, L., Goupalov, S. V.
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	https://arxiv.org/abs/2509.09586
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

A poor man's theory of circular dichroism in single-wall carbon nanotubes
by: Goupalov, S. V.
Published: (2025)

Confined acoustic phonons in CsPbI3 nanocrystals explored by resonant Raman scattering on excitons
by: Harkort, Carolin, et al.
Published: (2025)

Structural phase transitions in double perovskite crystals studied by Brillouin light scattering
by: Horiachyi, D. O., et al.
Published: (2026)

Non-perturbative macroscopic theory of interfaces with discontinuous dielectric constant
by: Beltukov, Y. M., et al.
Published: (2025)

Revisiting the phonon theory of liquid heat capacity: low-frequency shear modes and intramolecular vibrations
by: Liu, Yu, et al.
Published: (2025)

Substitutional sulfur and its vibrational fingerprints in Sb$_2$Se$_3$
by: Herklotz, F., et al.
Published: (2025)

Non-adiabatic perturbation theory of the exact factorisation
by: Tu, Matisse Wei-Yuan, et al.
Published: (2025)

Deep-learning density functional perturbation theory
by: Li, He, et al.
Published: (2024)

Contribution of shears on vibrational entropy
by: Jean-Louis, Bocquet
Published: (2025)

Structural and vibrational study of Zn(IO3)2 combining high-pressure experiments and density-functional theory
by: Liang, A., et al.
Published: (2024)

Lattice thermal transport from phonon spectra beyond perturbation theory
by: Zeng, Zezhu, et al.
Published: (2026)

Single-atom-resolved vibrational spectroscopy of a dislocation
by: Jiang, Hailing, et al.
Published: (2024)

Optical, vibrational, and electronic properties of semiconducting YbN
by: Markwitz, M., et al.
Published: (2026)

Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange
by: Yu, Victor Wen-zhe, et al.
Published: (2024)

Non-perturbative theory of the electron-phonon coupling and its first-principles implementation
by: Bianco, Raffaello, et al.
Published: (2023)

Interplay of vibrational, electronic, and magnetic states in CrSBr
by: Markina, Daria I., et al.
Published: (2025)

Bright-dark exciton splitting in lead halide perovskite crystals accessed via quantum beats in photon echoes
by: Hollberg, M. Alex, et al.
Published: (2026)

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows
by: Bonacci, Miki, et al.
Published: (2023)

Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionals
by: Binci, Luca, et al.
Published: (2024)

X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory
by: Lion, Konstantin, et al.
Published: (2023)

Mode selectivity in electron promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces
by: Hertl, Nils, et al.
Published: (2025)

Hybridized magnonic materials for THz frequency applications
by: To, D. -Q., et al.
Published: (2024)

Thermodynamic stability and vibrational properties of multi-alkali antimonides
by: Santana-Andreo, Julia, et al.
Published: (2024)

Efficient launch of shear phonons in photostrictive halide perovskites
by: Horiachyi, Dmytro, et al.
Published: (2025)

Many-body perturbation theory vs. density functional theory: A systematic benchmark for band gaps of solids
by: Großmann, Max, et al.
Published: (2025)

Ferrimagnetism induced by thermal vibrations in oxygen-deficient manganite heterostructures
by: Kaviani, Moloud, et al.
Published: (2024)

Temperature-dependent vibrational EELS simulations with nuclear quantum effects
by: He, Zuxian, et al.
Published: (2026)

Unified theory of magnetization temperature dependence in ferrimagnets
by: Serha, Rostyslav O., et al.
Published: (2025)

Effect of crystal symmetry of lead halide perovskites on the optical orientation of excitons
by: Kopteva, Nataliia E., et al.
Published: (2024)

Localization of vibrational modes in high-entropy oxides
by: Wilson, C. M., et al.
Published: (2023)

Decoding optoelectronic behavior in X$_3$BI$_3$ antiperovskite derivatives through many-body perturbation theory
by: Chakravorty, Ayan, et al.
Published: (2025)

Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW
by: Li, Zhenglu, et al.
Published: (2023)

GAP-DFT: A graph-based alchemical perturbation density functional theory for catalytic high-entropy alloys
by: Hendy, Mohamed, et al.
Published: (2024)

Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals
by: Ohad, Guy, et al.
Published: (2023)

Free-energy perturbation in the exchange-correlation space accelerated by machine learning: Application to silica polymorphs
by: Forslund, Axel, et al.
Published: (2025)

Application of the exact-factorization density-functional perturbation approach to pentacene crystal and monolayer MoS2
by: Steinitz-Eliyahu, Rachel, et al.
Published: (2026)

A path-finding algorithm for computing minimal-weight-matching centrosymmetry parameter
by: Pisarev, Vasily V.
Published: (2026)

Excitonic effects on infrared vibrational and Raman spectroscopy from first principles
by: Chan, Yang-Hao, et al.
Published: (2024)

Theory of perturbation of the magnetostatic field by an anisotropic magnetic toroid
by: Alkhoori, Hamad M., et al.
Published: (2024)

Low-temperature behavior of density-functional theory for metals based on density-functional perturbation theory and Sommerfeld expansion
by: Gonze, Xavier, et al.
Published: (2025)