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19952026
most citedThe virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites

912 citations

Showing 2023 · cond-mat.mtrl-sciShow all

14 papers · 2 filters

cond-mat.mtrl-sci2023★ 13 cited

Engineering ferroelectricity in monoclinic hafnia

Hong Jian Zhao, Yuhao Fu, Longju Yu +4

Ferroelectricity in the complementary metal-oxide semiconductor (CMOS)-compatible hafnia (HfO) is crucial for the fabrication of high-integration nonvolatile memory devices. Ho…

cond-mat.mtrl-sci2023★ 2 cited

Algorithm-Based Linearly Graded Compositions of GeSn on GaAs (001) via Molecular Beam Epitaxy

Calbi Gunder, Mohammad Zamani Alavijeh, Emmanuel Wangila +7

The growth of high-composition GeSn films of the future will likely be guided via algorithms. In this study we show how a logarithmic-based algorithm can be used to obtain high-qua…

cond-mat.mtrl-sci2023★ 10 cited

Coupling Between Magnetic and Transport Properties in Magnetic Layered Material Mn2-xZnxSb

Md Rafique Un Nabi, Rabindra Basnet, Krishna Pandey +9

We synthesized single crystals for Mn2-xZnxSb and studied their magnetic and electronic transport properties. This material system displays rich magnetic phase tunable with tempera…

cond-mat.mtrl-sci2023★ 2 cited

Topological interfacial states in ferroelectric domain walls of two-dimensional bismuth

Wei Luo, Yang Zhong, Hongyu Yu +4

Using machine learning methods, we explore different types of domain walls in the recently unveiled single-element ferroelectric, the bismuth monolayer [Nature 617, 67 (2023)]. Rem…

cond-mat.mtrl-sci2023★ 20 cited

Active learning of effective Hamiltonian for super-large-scale atomic structures

Xingyue Ma, Hongying Chen, Ri He +8

The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the…

cond-mat.mtrl-sci2023★ 11 cited

Nonlinear phonon Hall effects in ferroelectrics: its existence and non-volatile electrical control

W. Luo, J. Y. Ji, P. Chen +4

Nonlinear Hall effects have been previously investigated in non-centrosymmetric systems for electronic systems. However, they only exist in metallic systems and are not compatible…

cond-mat.mtrl-sci2023★ 4 cited

Energy storage properties of ferroelectric nanocomposites

Zhijun Jiang, Zhenlong Zhang, Sergei Prokhorenko +3

An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTi…

cond-mat.mtrl-sci2023★ 57 cited

Hexagonal close-packed polar-skyrmion lattice in ultrathin ferroelectric PbTiO3 films

Shuai Yuan, Zuhuang Chen, Sergei Prokhorenko +7

Polar skyrmions are topologically stable, swirling polarization textures with particle-like characteristics, which hold promise for next-generation, nanoscale logic and memory. Whi…

cond-mat.mtrl-sci2023★ 10 cited

Electric-field-induced formation and annihilation of skyrmions in two-dimensional magnet

Jingman Pang, Hongjia Wang, Yufei Tang +2

Electric manipulation of skyrmions in 2D magnetic materials has garnered significant attention due to the potential in energy-efficient spintronic devices. In this work, using firs…

cond-mat.mtrl-sci2023★ 25 cited

Revealing the Three-Dimensional Arrangement of Polar Topology in Nanoparticles

Chaehwa Jeong, Juhyeok Lee, Hyesung Jo +8

In the early 2000s, low dimensional systems were predicted to have topologically nontrivial polar structures, such as vortices or skyrmions, depending on mechanical or electrical b…

cond-mat.mtrl-sci2023★ 9 cited

The anti-symmetric and anisotropic symmetric exchange interactions between electric dipoles in hafnia

Longju Yu, Hong Jian Zhao, Peng Chen +2

The anti-symmetric and anisotropic symmetric exchange interactions between two magnetic dipole moments - responsible for intriguing magnetic textures (e.g., magnetic skyrmions) - h…

cond-mat.mtrl-sci2023★ 3 cited

Tight-binding model with sublattice-asymmetric spin-orbit coupling for square-net nodal line Dirac semimetals

Gustavo S. Orozco-Galvan, Amador Garcia-Fuente, Salvador Barraza-Lopez

We study a 4-orbital tight-binding (TB) model for ZrSiS from the square sublattice generated by the Si atoms. After studying three other alternatives, we endow such model with a ne…

cond-mat.mtrl-sci2023★ 8 cited

Thermally-driven phase transitions in freestanding low-buckled silicene, germanene, and stanene

John M. Davis, Gustavo S. Orozco-Galvan, Salvador Barraza-Lopez

Low-buckled silicene, germanene, and stanene are group graphene allotropes. They form a honeycomb lattice out of two interpenetrating ( and ) triangular sublattices that…

cond-mat.mtrl-sci2023★ 22 cited

Flexoelectricity-stabilized ferroelectric phase with enhanced reliability in ultrathin La:HfO2 films

Peijie Jiao, Hao Cheng, Jiayi Li +12

Doped HfO2 thin films exhibit robust ferroelectric properties even for nanometric thicknesses, are compatible with current Si technology and thus have great potential for the reviv…