{"total":13,"items":[{"citing_arxiv_id":"2607.08479","ref_index":68,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Exciton valley depolarization in monolayer MoS2: non-Markovian quantum dynamics, intervalley scattering, and the breakdown of the Dyakonov-Perel mechanism","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-07-09T13:38:33+00:00","verdict":"CONDITIONAL","verdict_confidence":"HIGH","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Realistic exciton-phonon coupling is too weak for Dyakonov-Perel motional narrowing in MoS2; full-Brillouin-zone intervalley scattering shortens valley depolarization 3–4× to ~50 fs (300 K) and ~130 fs (10 K).","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2607.07894","ref_index":68,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Bulk Boundary Condition for Surface Calculations in Density Functional Theory","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-07-08T20:05:50+00:00","verdict":"ACCEPT","verdict_confidence":"HIGH","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Bulk boundary conditions plus density-matrix locality let Kohn–Sham DFT compute surface and adsorption energies on a localized surface domain that matches slab accuracy.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.30128","ref_index":23,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Towards exascale fully relativistic pseudopotential density functional theory calculations enabled by mixed-precision computation and compressed-communication using residual based subspace iteration","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-28T15:58:29+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"A new high-performance framework combining R-ChFSI, mixed-precision computation, and compressed communication enables exascale fully relativistic pseudopotential DFT calculations for systems up to 100,000 electrons.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.20021","ref_index":25,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Spin Response Properties in Electronically Robust Ferromagnetic Strained $\\text{CrSiSe}_3$ Monolayer under External Electric Fields","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-19T15:47:26+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"First-principles calculations show robust charge properties but tunable spin Berry curvature, spin Hall conductivity, and magnon excitations in strained CrSiSe3 monolayer under electric fields up to 0.3 V/Å.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.17147","ref_index":42,"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":null,"verdict_confidence":null,"novelty_score":null,"formal_verification":null,"one_line_summary":null,"context_count":1,"top_context_role":"background","top_context_polarity":"background","context_text":"and non-periodic organic molecules, this framework enables Bayesian active learn- ing and zero-shot extrapolation utilizing only commodity hardware capabilities, which current large-scale architectures cannot replicate at the same data budget. 1 Introduction The accelerated discovery and design of novel materials and complex molecular structures increas- ingly rely on data-driven surrogate models [ 42, 86, 88, 104, 110, 111] to bypass the prohibitive computational costs of high-fidelity ab initio methods, such as Density Functional Theory (DFT) [17, 22, 44, 61, 65, 78]. While contemporary deep learning architectures [24, 100] have demonstrated remarkable success in establishing re-usable process-structure-property linkages, their heavily pa- rameterized nature demands both immense volumes of training data and places an excessive burden"},{"citing_arxiv_id":"2605.14408","ref_index":27,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Strain-Enhanced Hydrogen Evolution, Electrical, Optical, and Thermoelectric Properties of the Multifunctional 2D CrSi2N4 Monolayer","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-05-14T05:50:46+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"CrSi2N4 monolayer is stable with 0.58-2.16 eV indirect bandgap, high absorption, 3.5 mW/mK² thermoelectric power factor, and strain-reduced hydrogen adsorption energy to 0.46 eV for better HER.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.14130","ref_index":8,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"The Role of Hydrogen Bridging Bonds in the Shear-Thickening and Jamming of Dense Suspensions","primary_cat":"cond-mat.soft","submitted_at":"2026-05-13T21:30:37+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Solvent molecular size controls shear thickening and jamming in cornstarch suspensions by modulating hydrogen-bridging friction between particles.","context_count":1,"top_context_role":"background","top_context_polarity":"background","context_text":"thickening can be continuous (CST) or discontinuous (DST), depending on the details of particle interactions and the particle volume fractionφ. DST, in particular, has been associated with networks of frictional particle contacts, which dynamically evolve under shear and thereby resist flow [4-7]. The formation of these contact networks is driven by a stress-activated transition from lubricated to frictional particle-particle interactions [8]. At sufficiently largeφand shear stressτ, suspensions can furthermore enter a shear-jammed (SJ) state, in which the contact network imparts solid-like rigidity to the suspension [3, 6, 8, 9]. While the frictional particle-particle interactions can be controlled by particle shape and roughness[10-14], the fact that adjacent particles are sheared into contact implies that their surface chemistry can play a significant role as well."},{"citing_arxiv_id":"2604.21739","ref_index":76,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Nickel intercalation in epitaxial graphene on SiC(0001): a novel platform for engineering two-dimensional heterostructures","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-23T14:42:26+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"Nickel intercalated beneath epitaxial graphene on SiC(0001) via colloidal nanoparticles and annealing forms stable 2D heterostructures with preserved graphene bands and interfacial magnetism of 0.9 μB per Ni atom.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.19327","ref_index":44,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Intra- and Interlayer Excitonic Fine Structure of the Two-Dimensional Perovskite (PEA)$_2$PbI$_4$","primary_cat":"cond-mat.mes-hall","submitted_at":"2026-04-21T10:52:55+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"In (PEA)2PbI4 the low-energy excitonic multiplet is intralayer fine structure from crystal symmetry and octahedral distortions, while a ~45 meV higher doublet matches calculated interlayer excitons made visible by distortion-induced mixing.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.12003","ref_index":70,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Atomically-Thin Tsumoite (BiTe) based All-Photonic-Isolator, Information Converter, and Logic-Gate","primary_cat":"physics.optics","submitted_at":"2026-04-13T19:48:00+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"Atomically thin BiTe exhibits high third-order nonlinear susceptibility that enables proposed all-photonic isolators, converters, and logic gates.","context_count":1,"top_context_role":"background","top_context_polarity":"background","context_text":"Ernzerhoff [67] functional for solids PBESOL [68]. The Khon-Sham orbitals were expanded by a double- polarized basis set, constructed by pseudoatomic o rbitals of finite range with polarization orbitals. A cutoff of 300 Ry was appli ed for the real-space grid fineness [69]. Electron-ion interactions were modelled by pseudopo tentials employing norm-conserving Vanderbilt pseudopotentials[70] for collinear spin calculations without spin-orbit coupling. For 70 the non-collinear case, fully relativistic pseudopo tentials were used. All the pseudopotentials were collected from the pseudo dojo library [71]. T he following valence was considered: Bi (5d 10 6s 2 6p 3); Te (5s 2 5p 4). For tellurium, the fully relativistic valence considered was 4d 10 5s 2"},{"citing_arxiv_id":"2604.04434","ref_index":2,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Collective Electrostatics and Band Alignment in Janus MoSTe nanotubes","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-06T05:28:24+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Janus MoSTe nanotubes produce over 1.3 V collective electrostatic potential inside their pores that accumulates in double walls and shifts inner-tube band edges by ~1 eV to yield type-II alignment.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2501.11878","ref_index":43,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Development of an uncertainty-aware equation of state for gold","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-01-21T04:12:33+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":5.0,"formal_verification":"none","one_line_summary":"Gaussian processes with error-in-variables generate uncertainty-aware equation of state tables for gold from DFT data across extreme densities and temperatures.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"1906.08408","ref_index":68,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Ab initio theory of polarons: formalism and applications","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-06-20T01:25:54+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"A variational ab initio framework for electron and hole polarons that couples to all phonons, formulated as a nonlinear eigenvalue problem in Kohn-Sham and phonon bases and demonstrated on LiF and Li2O2 without supercells.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null}],"limit":50,"offset":0}