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19922026
Showing 2025 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2025

Gauge-Invariant Long-Wavelength TDDFT Without Empty States: From Polarizability to Kubo Conductivity Across Heterogeneous Materials

Christian Tantardini, Quentin Pitteloud, Boris Yakobson +1

Electromagnetic response is commonly computed in two languages: length-gauge molecular polarizabilities and velocity-gauge (Kubo) conductivities for periodic solids. We introduce a…

cond-mat.mtrl-sci2025

Defect-Mediated Phase Engineering of 2D Ag at the Graphene/SiC Interface

Arpit Jain, Boyang Zheng, Sawani Datta +23

Atomically thin silver (Ag) films offer unique opportunities in plasmonic, quantum optics, and energy harvesting, yet conventional growth methods struggle to achieve structural con…

cond-mat.mtrl-sci2025

Fermi surface and Berry phase analysis for Dirac nodal line semimetals: cautionary tale to SrGa and BaGa

Yuxiang Gao, Yichen Zhang, Shiming Lei +8

A Berry phase of odd multiples of inferred from quantum oscillations (QOs) has often been treated as evidence for nontrivial reciprocal space topology. However, disentangling t…

cond-mat.mtrl-sci2025★ 2 cited

From Glaphene to Glaphynes: A Hybridization of 2D Silica Glass and Graphynes

Guilherme S. L. Fabris, Raphael B. de Oliveira, Marcelo L. Pereira Junior +3

Hybrid two-dimensional (2D) materials have attracted increasing interest as platforms for tailoring electronic properties through interfacial design. Very recently, a novel hybrid…

cond-mat.mtrl-sci2025★ 10 cited

A Concise Review of Recently Synthesized 2D Carbon Allotropes: Amorphous Carbon, Graphynes, Biphenylene and Fullerene Networks

Ricardo Paupitz, Alexandre F. Fonseca, Mizraim Bessa +6

Two-dimensional (2D) carbon allotropes have received considerable attention due to their unique properties and potential applications in several fields, including electronics, cata…

cond-mat.mtrl-sci2025★ 1 cited

Magnetism Induced by Azanide and Ammonia Adsorption in Defective Molybdenum Disulfide and Diselenide: A First-Principles Study

Guilherme S. L. Fabris, Bruno Ipaves, Raphael B. Oliveira +3

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted considerable attention due to their tunable structural, electronic, and spin-related properties, particu…

cond-mat.mtrl-sci2025★ 4 cited

CaCdP: A Visible-Light Absorbing Zintl Phosphide Stable under Photoelectrochemical Water Oxidation

Guillermo L. Esparza, Zhenkun Yuan, Muhammad Rubaiat Hasan +9

A key bottleneck to solar fuels is the absence of stable and strongly absorbing photoelectrode materials for the oxygen evolution reaction (OER). Modern approaches generally trade…

cond-mat.mtrl-sci2025★ 1 cited

On the Electronic, Mechanical and Optical Properties of Superhard Cross-Linked Carbon Nanotubes (Tubulanes)

Raphael M. Tromer, Bruno Ipaves, Marcelo L. Pereira Junior +3

We have investigated the electronic, optical, and mechanical properties of six structures belonging to the Tubulanes-cross-linked carbon nanotube family. Our results highlight the…

cond-mat.mtrl-sci2025★ 4 cited

Observation of mirror-odd and mirror-even spin texture in ultrathin epitaxially strained RuO2 films

Yichen Zhang, Seung Gyo Jeong, Luca Buiarelli +24

Recently, rutile ruthenium dioxide (RuO) has attracted renewed interest due to expectations of prominent altermagnetic spin splitting. However, accumulating experimental eviden…

cond-mat.mtrl-sci2025★ 1 cited

Controlled Growth of Bronze Telluride for Scalable Thermoelectric Energy Harvesting

Karthik R, Abhijith MB, Juan Gomez Quispe +7

With the growing demand for sustainable and decentralized energy solutions, thermoelectric energy harvesting has emerged as a promising technology for directly converting waste hea…

cond-mat.mtrl-sci2025★ 4 cited

Revealing Atomic-Scale Switching Pathways in van der Waals Ferroelectrics

Xinyan Li, Kenna Ashen, Chuqiao Shi +9

Two-dimensional van der Waals (vdW) materials hold the potential for ultra-scaled ferroelectric (FE) devices due to their silicon compatibility and robust polarization down to atom…

cond-mat.mtrl-sci2025★ 5 cited

Landau theory description of autferroicity

Jun-Jie Zhang, Boris I. Yakobson, Shuai Dong

Autferroics, recently proposed as a sister branch of multiferroics, exhibit strong intrinsic magnetoelectricity, but ferroelectricity and magnetism are mutually exclusive rather th…

cond-mat.mtrl-sci2025★ 7 cited

Terahertz-field activation of polar skyrons

Huaiyu Wang, Vladimir Stoica, Cheng Dai +27

Unraveling collective modes arising from coupled degrees of freedom is crucial for understanding complex interactions in solids and developing new functionalities. Unique collectiv…

cond-mat.mtrl-sci2025

Two-dimensional perovskites with maximum symmetry enable exciton diffusion length exceeding 2 micrometers

Jin Hou, Jared Fletcher, Siedah J. Hall +15

Realizing semiconductors with high symmetry of their crystallographic structures has been a virtue of inorganic materials and has resulted in novel physical behaviors. In contrast,…

cond-mat.mtrl-sci2025★ 12 cited

Computational Characterization of the Recently Synthesized Pristine and Porous 12-Atom-Wide Armchair Graphene Nanoribbon

Djardiel da S. Gomes, Isaac M. Felix, Willian F. Radel +3

Recently synthesized Porous 12-Atom-Wide Armchair Graphene Nanoribbons Nano Lett. 2024, 24, 10718-10723 exhibit tunable properties through periodic porosity, enabling precise contr…

cond-mat.mtrl-sci2025★ 5 cited

Two-dimensional multiferroic NbPc COF with strong magnetoelectric coupling and room-temperature ferroelectricity

Wei Li, Dongyang Zhu, Shuai Dong +1

The realization of two-dimensional multiferroics offers significant potential for nanoscale device functionality. However, type-I two-dimensional multiferroics with strong magnetoe…

cond-mat.mtrl-sci2025★ 6 cited

Atomic-resolution structural and spectroscopic evidence for the synthetic realization of two-dimensional copper boride

Hui Li, Qiyuan Ruan, Cataldo Lamarca +3

Since the first realization of borophene on Ag(111), two-dimensional (2D) boron nanomaterials have attracted significant interest due to their polymorphic diversity and potential f…