{"total":37,"items":[{"citing_arxiv_id":"2606.26646","ref_index":44,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Dynamic heterogeneity in sodium silicate melts via machine-learning potential","primary_cat":"cond-mat.soft","submitted_at":"2026-06-25T06:18:24+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"ML-potential MD simulations of sodium disilicate, tetrasilicate and hexasilicate melts show sodium hopping via bimodal van Hove functions and strongest non-Gaussian parameter for oxygen atoms.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.26258","ref_index":46,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"New Superconductors in the PtPb$_3$Bi Structure Type","primary_cat":"cond-mat.supr-con","submitted_at":"2026-06-24T18:02:46+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Synthesis and characterization of bulk type-II superconductivity in three new M Pb4-x Bix compounds (M=Au, Pd, Rh) with Tc of 4.9 K, 4.2 K and 3.4 K in the PtPb3Bi structure type.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.24478","ref_index":41,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Dimensional Confinement Driven Scattering Inversion in NaCrTe$_2$","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-06-23T12:13:42+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"Monolayer NaCrTe2 shows scattering inversion from POP to ADP due to enhanced dielectric screening and lattice softening from dimensional confinement.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.23571","ref_index":8,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"INCARBench: A Benchmark for Scientific Configuration in VASP INCAR by Large Language Models","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-06-22T16:38:42+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"INCARBench evaluates 19 LLMs on VASP INCAR configuration generation and repair, showing high semantic accuracy but lower scientific correctness especially for DFT+U, magnetism, and correlated materials.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.12311","ref_index":33,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Effect of polar distortions on the anomalous Hall conductivity of altermagnetic $\\alpha$-MnTe","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-06-10T16:45:49+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"Polar distortions induced by surface symmetry breaking or electric fields substantially modify the anomalous Hall conductivity in alpha-MnTe.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.12110","ref_index":2,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Scalable Conformal MoSx Catalyst for Efficient Hydrogen Evolution at Industrial-Level Current Density in Alkaline Electrolyzers","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-06-10T14:05:17+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"A scalable coating-annealing process creates MoS3@Ni foam cathodes that deliver 1 A/cm² at 1.96 V for 1000 h in alkaline water electrolyzers, outperforming most prior MoSx systems.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.11721","ref_index":13,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Ambient and Pressure Dependent Superconductivity with Hydrogen Storage Potential in Quaternary Hydride LiMgZr2H12: A Comprehensive First-principles Insights","primary_cat":"cond-mat.supr-con","submitted_at":"2026-06-10T06:51:50+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"First-principles study of designed LiMgZr2H12 predicts ambient-pressure Tc of 72.76 K and 5.36 wt% gravimetric hydrogen storage.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.02298","ref_index":81,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Room-Temperature Electric-Field Control of Anomalous Hall Effect in Py/BTO/LSMO Heterostructures","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-06-01T14:21:44+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"Py/BTO/LSMO heterostructures enable room-temperature voltage tuning of anomalous Hall effect via ferroelectric polarization coupling to interfacial magnetism, achieving 93% modulation and Rashba splitting per DFT.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2606.00794","ref_index":27,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Benchmark Dataset for Catalysis on 2D MXenes","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-30T16:18:17+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"A benchmark dataset of 60,000 DFT calculations on 2D MXenes is created and used to train MLIPs achieving ~1000-4000x CPU speedup with ~10 meV/A force and ~1 meV/atom energy accuracy.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.27983","ref_index":28,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Effect of Vacancies on Hydrogen Mobility and Trapping in Elemental Fe and Cr: A DFT and kMC Study","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-27T05:19:31+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"DFT-kMC simulations find that vacancies trap hydrogen more strongly in Cr than Fe, reducing mobility and raising activation energy with a more pronounced effect in Cr.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.23438","ref_index":26,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Symmetry-protected nodal planes and accidental nodal surfaces in mixed odd-even wave spin-momentum locking of relativistic altermagnets","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-22T09:52:09+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Relativistic altermagnets exhibit mixed g-, d-, and p-wave spin-momentum locking with symmetry-protected nodal planes and accidental nodal surfaces depending on Néel vector orientation.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.18638","ref_index":70,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Electronic mechanism of sub-100-fs demagnetization induced by a femtosecond light pulse","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-18T16:44:50+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"Theoretical prediction that light pulses from optical to X-ray regimes cause sub-100 fs demagnetization via electronic excitation and electron redistribution in the magneto-sensitive band, without significant phonon or Heisenberg exchange contributions.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.18057","ref_index":56,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Chemo-mechanical coupling stabilizes mixed $\\mathrm{Ag}_{x}\\mathrm{Cu}_{1-x}\\mathrm{GaSe}_{2}$ solar-cell absorbers: Insights from Monte-Carlo simulations assisted by ab initio informed machine-learning potentials","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-18T08:44:59+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Monte-Carlo simulations with an ML potential demonstrate that coherency strain removes the Ag-Cu miscibility gap in Ag_xCu_{1-x}GaSe2, producing complete mixing.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.17147","ref_index":70,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Spatial statistics for screening molecular structures","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-16T20:42:23+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"Spatial statistics on voxelized structures using FFT correlations and PCA yield low-dimensional convex features that support accurate predictions with as few as 10 training samples.","context_count":1,"top_context_role":"background","top_context_polarity":"background","context_text":"s41524-019-0153-8. URLhttps://www.nature.com/articles/s41524-019-0153-8. [69] Silke Maes, Frederik De Ceuster, Marie Van de Sande, and Leen Decin. MACE: a Machine- learning Approach to Chemistry Emulation.Journal of Open Source Software, 10(108):7148, April 2025. ISSN 2475-9066. doi: 10.21105/joss.07148. URL https://joss.theoj.org/ papers/10.21105/joss.07148. [70] Mohammad Ali Seyed Mahmoud, Dominic Renner, Ali Khosravani, and Surya R. Kalidindi. Sequential Bayesian Inference of the GTN Damage Model Using Multimodal Experimental Data, October 2025. URL http://arxiv.org/abs/2510.01016. arXiv:2510.01016 [stat]. [71] Andrew Mann and Surya R. Kalidindi. Development of a Robust CNN Model for Cap- turing Microstructure-Property Linkages and Building Property Closures Supporting Ma-"},{"citing_arxiv_id":"2605.16583","ref_index":2,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Crystal growth and characterization of the ultra-high temperature substrate $\\mathrm{Ta_{1-x}Hf_{x}C_{0.5}}$","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-15T19:40:32+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Optical floating zone growth and characterization of Ta0.8Hf0.2C0.5 single crystals with trigonal layered structure, low surface roughness after polishing, and thermal conductivity of 18 W/mK as a potential lattice-matched substrate for Al-rich AlGaN.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.14154","ref_index":39,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"TSAgent: An Agentic Workflow for Autonomous Transition State Search","primary_cat":"physics.chem-ph","submitted_at":"2026-05-13T22:08:24+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"TSAgent automates transition state searches at DFT accuracy via an agentic loop, reaching 83% success on 100 OC20NEB examples and 70% on 10 held-out cases versus 73% for human experts.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.13577","ref_index":57,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Anisotropic Dopant and Strain Architectures in WS$_2$ Nanocrystals Driven by Growth Kinetics","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-13T14:11:39+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Non-equilibrium growth kinetics produce anisotropic vanadium dopant distributions and associated localized tensile strain in WS2 monolayers.","context_count":1,"top_context_role":"method","top_context_polarity":"use_method","context_text":", Luican-Mayer, A., Pimenta, M.A.: Selective electron-phonon coupling in dimerized 1t-TaS2 revealed by resonance raman spectroscopy. ACS Nano17(16), 15883-15892 (2023) https: //doi.org/10.1021/acsnano.3c03902 . PMID: 37556765 [56] Bl¨ ochl, P.E.: Projector augmented-wave method. Physical Review B50, 17953- 17979 (1994) https://doi.org/10.1103/PhysRevB.50.17953 [57] Kresse, G., Joubert, D.: From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B59, 1758-1775 (1999) https://doi. org/10.1103/PhysRevB.59.1758 [58] Kresse, G., Furthm¨ uller, J.: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Physical Review B54, 11169-11186 (1996) https://doi."},{"citing_arxiv_id":"2605.12611","ref_index":285,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Visible-NIR-Frequency Hyperbolic Response in Nodal-Line Semimetal PbTaSe$_2$","primary_cat":"physics.optics","submitted_at":"2026-05-12T18:02:45+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"PbTaSe₂ exhibits intrinsic plasmonic hyperbolic response in the visible-NIR range with anisotropy parameter |R| ≈ 231 and quality factor Q_max ≈ 2.8 at 0.78 eV.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.12029","ref_index":23,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Vacancy-Enhanced $N-N$ Bonding and Deep Level Complex Defect Formation in $\\beta-Ga_2O_3$","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-12T12:14:05+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"Nitrogen-vacancy defect complexes in β-Ga₂O₃ form deep trapping centers that limit carrier transport and promote semi-insulating properties.","context_count":1,"top_context_role":"method","top_context_polarity":"use_method","context_text":"performed at fixed volume until the residual forces on each atom were below0.03 eVÅ −1 , and the electronic self-consistency threshold was set to1×10 −4 eV. Spin polarization was included in all calculations. Note that this supercell size was chosen to minimize finite-size effects in the calculation of defect formation energies. The formation energy of a defect X in charge state is given by [23] 𝐸 𝑓 𝑋𝑞 \u0001 =𝐸 𝑡𝑜𝑡 𝑋𝑞 \u0001 −𝐸 𝑡𝑜𝑡 (𝑏𝑢𝑙 𝑘) − ∑︁ 𝑖 𝑛𝑖 𝜇𝑖 +𝑞 (𝐸𝐹 +𝐸 𝑉 ) +𝐸 𝑐,(1) 2 where𝐸 𝑡𝑜𝑡 (𝑋 𝑞)and𝐸 𝑡𝑜𝑡 (𝑏𝑢𝑙 𝑘)are the total energies of the defective and pristine supercells, respectively. The term𝑛 𝑖 represents the number of atoms of species𝑖added (𝑛 𝑖 >0) or removed (𝑛 𝑖 <0), and𝜇 𝑖 is the corresponding chemical potential. The Fermi level𝐸 𝐹 is referenced to the valence band maximum𝐸 𝑉."},{"citing_arxiv_id":"2605.02685","ref_index":10,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"A Unified microscopic picture of cation and anion migration in MAPbI$_3$","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-04T15:01:39+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Molecular dynamics simulations find that both I and MA defects in MAPbI3 diffuse rapidly at room temperature with barriers of 0.15-0.20 eV, with MA interstitials moving via concerted mechanisms and no MA vacancy migration observed.","context_count":1,"top_context_role":"background","top_context_polarity":"background","context_text":"; Brocks, G.; Tao, S.; Olthof, S. Probing the Reactivity of ZnO with Per- ovskite Precursors.ACS Appl. Mater. Inter- faces2024,16, 14984-14994. (9) Semerci, A. et al. The Role of Fluorine- Functionalized Organic Spacers for De- fect Passivation and Low-Dimensional Phase Formation in 3D MAPI Perovskite So- lar Cells.Adv. Funct. Mater.2025,35, 2423109. (10) Maschwitz, T. et al. How crystallization additives govern halide perovskite grain growth.Nat. Commun.2025,16, 9894. (11) Xue, H.; Vicent-Luna, J. M.; Tao, S.; Brocks, G. Compound Defects in Halide Per- ovskites: A First-Principles Study of CsPbI3. J. Phys. Chem. C2023,127, 1189-1197. (12) Clark, C. P.; Mann, J. E.; Bangsund, J. S.; Hsu, W.-J.; Aydil, E."},{"citing_arxiv_id":"2605.01465","ref_index":9,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Deterministic Realization of Complex Local Strain Fields and Bandgap Profiles in Two-Dimensional Materials","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-02T14:31:51+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Nanostructure geometry on suspended van der Waals membranes provides deterministic control of multiaxial strain and bandgap profiles in 2D materials like Ga2Se2, with a two-component analytical model predicting shifts to within 12% error and extendable to other materials.","context_count":1,"top_context_role":"background","top_context_polarity":"background","context_text":"versible Strain-Induced Magnetic Phase Transition in a van Der Waals Magnet.Nature Nanotechnology2022,17, 256-261. (8) Zhou, J.; Xu, X.; Yang, T.; He, J.; Chai, J.; Wong, L. M.; Feng, Y. P.; Yang, M.; 19 Shen, L.; Wang, S. Biaxial strain induced multiple magnetic phase transitions in non- magnetictransitionmetalhalidemonolayer.J. Mater. Chem. C2022,10, 14344-14349. (9) Feng, D.; Shen, Z.; Xue, Y.; Guan, Z.; Xiao, R.; Song, C. Strain-induced magnetic phase transition, magnetic anisotropy switching and bilayer antiferromagnetic skyrmions in van der Waals magnet CrTe2.Nanoscale2023,15, 1561-1567. (10) Shaikh, M. H.; Whalen, M. P.; Ho, D. Q.; Ishraq, A.; Maurtua, C.; Watanabe, K.; Taniguchi, T.; Ren, Y.; Janotti, A."},{"citing_arxiv_id":"2604.26995","ref_index":8,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Thin film synthesis of SrZn2P2 with SrI2 post-annealing for enhanced crystallinity and optoelectronic quality","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-29T01:03:41+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"SrI2 post-annealing of sputtered SrZn2P2 thin films causes grain growth, reduces diffraction peak broadening, preserves phase purity, and boosts photoluminescence intensity and uniformity near the 1.8 eV direct bandgap.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.25483","ref_index":62,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Probing sliding ferroelectricity in bilayer T$_\\mathrm{d}$-WTe$_2$ with high-harmonic generation","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-28T10:41:08+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Polarization-resolved high-harmonic generation spectra in bilayer Td-WTe2 exhibit robust signatures of mirror-symmetry breaking from sliding ferroelectricity, enabling all-optical identification of the polarization state.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.23758","ref_index":200,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery","primary_cat":"cs.LG","submitted_at":"2026-04-26T15:14:38+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"An agentic framework fusing large atomic and language models rediscovers 66 known superconductors and guides experimental verification of four new ones with transition temperatures from 2.5 K to 6.5 K.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.23597","ref_index":44,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Coherent spin waves in a maximal entropy phase","primary_cat":"cond-mat.str-el","submitted_at":"2026-04-26T08:14:54+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"In YBaCuFeO5, disorder in a maximal-entropy mixed phase favors coherent dispersive spin waves with acoustic and optical branches rather than destroying them.","context_count":1,"top_context_role":"method","top_context_polarity":"use_method","context_text":"[42] Paul Scherrer Institute. Swissfel furka. https://www.psi.ch/en/swissfel/furka (2026). [43] Wang, Y., Fabbris, G., Dean, M. & Kotliar, G. Edrixs: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering.Computer Physics Com- munications243, 151-165 (2019). URL https://www.sciencedirect.com/science/ article/pii/S0010465519301353. [44] Kresse, G. & Furthm¨ uller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.Phys. Rev. B54, 11169-11186 (1996). URL https://link.aps.org/doi/10.1103/PhysRevB.54.11169. [45] Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method.Phys. Rev. B59, 1758-1775 (1999)."},{"citing_arxiv_id":"2604.21561","ref_index":51,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Superconductivity induced by altermagnetic spin fluctuations in high-pressure MnB$_4$","primary_cat":"cond-mat.supr-con","submitted_at":"2026-04-23T11:33:37+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":8.0,"formal_verification":"none","one_line_summary":"Superconductivity in high-pressure MnB4 is induced by altermagnetic spin fluctuations, yielding extended-s pairing symmetry.","context_count":1,"top_context_role":"method","top_context_polarity":"use_method","context_text":"Supercomputer Center (SDSC) at the University of Cal- ifornia San Diego [45] (Allocation No. TG-DMR180071) for providing the computational resources used in this work. End matter DFT -Electronic structure calculations were per- formed using the ViennaAb initioSimulation Pack- age (VASP) version 6.5.1 [46-50]. Standard projector augmented-wave (PAW) [51] pseudopotentials with the generalized gradient approximation (GGA) of Perdew, Burke, and Ernzerhof (PBE) [52] were employed. The calculations used a plane-wave energy cutoff of 580 eV, a Methfessel-Paxton smearing [53] of 0.27 eV, and a 12×12×12 Γ-centeredk-point grid. Additionally, the results were verified using the PWscf package of Quantum ESPRESSO (QE) version 7."},{"citing_arxiv_id":"2604.18843","ref_index":70,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Stripping Symmetry: Electrochemical Oxidation to a Superconducting Polar Metal in Au2Pb0.914P2","primary_cat":"cond-mat.supr-con","submitted_at":"2026-04-20T21:09:39+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Electrochemical oxidation strips Pb from Au2PbP2 to produce the polar noncentrosymmetric superconductor Au2Pb0.914P2 with Tc=1.52 K via Jahn-Teller-driven structural rearrangement.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.17665","ref_index":18,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"pyzentropy: A Python package implementing recursive entropy for first-principles thermodynamics","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-19T23:34:21+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"pyzentropy implements recursive entropy to compute total system entropy from first-principles supercell calculations, reproducing Invar behavior and experimental phase diagrams for Fe3Pt.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.15935","ref_index":79,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Antiferromagnetic Dimers in the Parent Phase of a Correlated Kagome Superconductor","primary_cat":"cond-mat.str-el","submitted_at":"2026-04-17T10:52:58+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"CsCr3Sb5's 4x1 CDW state features antiferromagnetic Cr dimers whose fluctuations may mediate superconductivity.","context_count":1,"top_context_role":"method","top_context_polarity":"use_method","context_text":"relatively small and thus E0 ≈ Eph. First-principles calculations The calculations were performed using density func- tional theory (DFT) with the VASP package [ 77, 78]. The energy cutoff of the plane-wave basis was chosen to be 450 eV and a Γ-centered 9 × 18× 6 k-point mesh was employed for the 4 × 1 CDW structure. In our cal- culations, the PBEsol approximation[ 79] was used and spin-orbit coupling (SOC) was not included. For all the 4× 1 P bam CDW structures generated from our high- throughput search, the lattice constants were constrained to experimentally determined values at 40 K, and the atomic coordinates were fully relaxed until the force on each atom is less than 1 meV/ ˚ A and the internal stress is less than 0."},{"citing_arxiv_id":"2604.09140","ref_index":25,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Effects of Compression on the Local Iodine Environment in Dipotassium Zinc Tetraiodate(V) Dihydrate K2Zn(IO3)4.2H2O","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-10T09:19:31+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"High pressure converts IO3 units to hypercoordinated IO6 in K2Zn(IO3)4.2H2O forming 2D iodate networks, promotes multicenter O-H-O bonds, yields bulk modulus 22(3) GPa, and closes the band gap from 4.2 eV to 3.4 eV at 20 GPa.","context_count":1,"top_context_role":"method","top_context_polarity":"use_method","context_text":"Efficient iterative schemes for ab initio total -energy calculations using a plane-wave basis set. Phys. Rev. B 1996, 54, 11169-11186. DOI: 10.1103/PhysRevB.54.11169 [24] Kresse, G.; Furthmüller, Efficiency of ab -initio total energy calculations for metals and semiconductors using a plane -wave basis set. Comput. Mater. Sci., 1996, 6, 15-50. DOI: 10.1016/0927-0256(96)00008-0 [25] Kresse , G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 1999, 59, 1758 -1775. DOI: 10.1103/PhysRevB.59.1758 [26] Perdew, J.P .; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77, 3865-3868. DOI: 10.1103/PhysRevLett.77.3865 [27] Blöchl, P .E."},{"citing_arxiv_id":"2601.19652","ref_index":33,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Revealing the (111) surface electronic structure of epitaxially grown Na$_2$KSb photocathode","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-01-27T14:27:38+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"First epitaxial Na2KSb films grown and their (111) surface electronic structure mapped via ARPES and DFT, showing termination-dependent states preserved after Cs/Sb activation.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2506.04933","ref_index":39,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Opposite pressure effects on magnetic phase transitions in NiBr2","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-06-05T12:08:12+00:00","verdict":"CONDITIONAL","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Pressure increases the collinear AFM Neel temperature in NiBr2 to 100 K at 3 GPa while suppressing helimagnetic order above 0.8 GPa, with ab initio calculations attributing this to the second-nearest interlayer exchange j2'.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2503.14693","ref_index":34,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Magnetoelasticity - magnetic structure interrelation - tetragonal MnPt system study","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-03-18T19:52:21+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":3.0,"formal_verification":"none","one_line_summary":"Theoretical calculations explain experimental magnetoelastic data in antiferromagnetic MnPt, linking magnetic structure to anisotropy energy and isotropic/anisotropic magnetostriction coefficients.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2308.14159","ref_index":32,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Supercell formation in epitaxial rare-earth ditelluride thin films","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2023-08-27T17:30:30+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Epitaxial DyTe_{2-δ} films on MgO show a Te-deficiency supercell attributed via DFT to Fermi surface nesting that periodically occupies the Te square net and opens a gap.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"1906.11568","ref_index":29,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"First principle investigation of hydrogen behavior in M doped Cu$_2$O (M $=$ Na, Li and Ti)","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-06-27T11:50:50+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":3.0,"formal_verification":"none","one_line_summary":"DFT study finds interstitial hydrogen switches Na/Li/Ti-doped Cu2O to n-type conductivity, reduces band gap and raises optical transmittance.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"1906.10433","ref_index":35,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Itinerant Ferromagnetism in p-doped Monolayers of MoS2","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-06-25T10:16:09+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"DFT plus Monte Carlo simulations predict itinerant ferromagnetism with Tc exceeding 160 K in p-doped MoS2 monolayers at 9% V concentration.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"1906.09752","ref_index":8,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Bulk-mediated interaction between impurities in 1D atomic chains","primary_cat":"cond-mat.mes-hall","submitted_at":"2019-06-24T07:10:43+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"Electron-mediated interaction between two impurities in a 1D atomic chain changes sign and magnitude with adatom separation and system doping.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null}],"limit":50,"offset":0}