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19922026
most citedDetermination of Effective Permittivity and Permeability of Metamaterials from Reflection and Transmission Coefficients

3k citations

Showing 2023 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci2023★ 44 cited

Discovery of the Zintl-phosphide BaCdP as a long carrier lifetime and stable solar absorber

Zhenkun Yuan, Diana Dahliah, Muhammad Rubaiat Hasan +17

Thin-film photovoltaics offers a path to significantly decarbonize our energy production. Unfortunately, current materials commercialized or under development as thin-film solar ce…

cond-mat.mtrl-sci2023★ 11 cited

Prediction of Van Hove singularity systems in ternary borides

Yang Sun, Zhen Zhang, Andrew P Porter +3

A computational search for stable structures among both and phases of ternary ATB4 borides (A= Mg, Ca, Sr, Ba, Al, Ga, and Zn, T is 3d or 4d transition elements) has been p…

cond-mat.mtrl-sci2023★ 14 cited

Origin of Charge Density Wave in Topological Semimetals SrAl4 and EuAl4

Lin-Lin Wang, Niraj K. Nepal, Paul C. Canfield

Topological semimetals in BaAl4-type structure show many interesting behaviors, such as charge density wave (CDW) in SrAl4 and EuAl4, but not the isostructural and isovalent BaAl4,…

cond-mat.mtrl-sci2023★ 138 cited

Hybrid organic-inorganic two-dimensional metal carbide MXenes with amido- and imido-terminated surfaces

Chenkun Zhou, Di Wang, Francisco Lagunas +9

Two-dimensional (2D) transition-metal carbides and nitrides (MXenes) show impressive performance in applications, such as supercapacitors, batteries, electromagnetic interference s…

cond-mat.mtrl-sci2023★ 17 cited

Density Functional Theory of Material Design: Fundamentals and Applications -- I

Prashant Singh, Manoj K Harbola

This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease o…

cond-mat.mtrl-sci2023★ 7 cited

Response of the Verwey transition in magnetite to a controlled point-like disorder induced by 2.5 MeV electron irradiation

Ruslan Prozorov, Makariy A. Tanatar, Erik I. Timmons +2

A controlled point-like disorder induced by low temperature 2.5 MeV electron irradiation was used to probe the nature of the Verwey transition in magnetite, $\text{Fe}_{3}\text{O}_…

cond-mat.mtrl-sci2023★ 4 cited

Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in Zirconium Pentatelluride

Tao Jiang, Peter P. Orth, Liang Luo +7

Laser-driven coherent phonons can act as modulated strain fields and modify the adiabatic ground state topology of quantum materials. Here we use time-dependent first-principles an…

cond-mat.mtrl-sci2023★ 15 cited

Machine learning guided discovery of superconducting calcium borocarbides

Chao Zhang, Hui Tang, Chen Pan +4

Pursuit of superconductivity in light-element systems at ambient pressure is of great experimental and theoretical interest. In this work, we combine a machine learning (ML) method…