Physics, Materials Science papers, 2024-03-01 to 2024-08-31

Papers

1. Carbon-contaminated topological defects in hexagonal boron nitride for quantum photonics2403.00755 · 1 Mar 2024
2. Temperature-dependent thermodynamic properties of CrNbO4 and CrTaO4 by first-principles calculations2403.00705 · 1 Mar 2024
3. Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe2403.00297 · 1 Mar 2024
4. Shock consolidation and the corresponding plasticity in nanopowdered Mg2403.00302 · 1 Mar 2024
5. Understanding Trap States in InP and GaP Quantum Dots Through Density Functional Theory2403.00703 · 1 Mar 2024
6. Minority magnons and mode branching in monolayer Fe$_3$GeTe$_2$2403.00525 · 1 Mar 2024
7. On the equilibrium limit of liquid stability in pressurized aqueous systems2403.01028 · 1 Mar 2024
8. Quasi-one-dimensional spin transport in altermagnetic $Z^3$ nodal net metals2403.00371 · 1 Mar 2024
9. Thermoelectric Transport in Weyl Semimetal BaMnSb2: a First-Principles Study2403.00997 · 1 Mar 2024
10. Electrochemical Evaluation of Mg and a Mg-Al 5%Zn Metal Rich Primers for Protection of Al-Zn-Mg-Cu Alloy in NaCl2403.00610 · 1 Mar 2024
11. Spin gapped metals: A novel class of materials for multifunctional spintronic devices2403.00936 · 1 Mar 2024
12. Critical slowing of the spin and charge density wave order in thin film Cr following photoexcitation2403.00267 · 1 Mar 2024
13. Low-temperature aqueous solution growth of the acousto-optic TeO2 single crystals2403.00495 · 1 Mar 2024
14. Robustness of the pyrochlore structure in rare-earth A2Ir2O7 iridates and pressure-induced structural transformation in IrO22403.00477 · 1 Mar 2024
15. Deciphering diffuse scattering with machine learning and the equivariant foundation model: The case of molten FeO2403.00259 · 1 Mar 2024
16. La$_4$Co$_4$X (X = Pb, Bi, Sb): a demonstration of antagonistic pairs as a route to quasi-low dimensional ternary compounds2403.00204 · 1 Mar 2024
17. Cooperatively Modulating Magnetic Anisotropy and Colossal Magnetoresistance via Atomic-Scale Buffer Layers in Highly Strained La0.7Sr0.3MnO3 Films2403.00361 · 1 Mar 2024
18. Gapped nodal planes drive a large topological Nernst effect in a chiral lattice antiferromagnet2403.01113 · 2 Mar 2024
19. Knowledge-Reuse Transfer Learning Methods in Molecular and Material Science2403.12982 · 2 Mar 2024
20. Zero-field magnetic skyrmions in exchange-biased ferromagnetic-antiferromagnetic bilayers2403.01175 · 2 Mar 2024
21. Unified understanding to the rich electronic-structure evolutions of 2D black phosphorus under pressure2403.01149 · 2 Mar 2024
22. Negative Temperature in Spin Dynamics Simulations2403.01307 · 2 Mar 2024
23. A Bayesian Committee Machine Potential for Oxygen-containing Organic Compounds2403.01158 · 2 Mar 2024
24. Mirror real Chern insulator in two and three dimensions2403.01145 · 2 Mar 2024
25. Electric polarization evolution equation for antiferromagnetic multiferroics with the polarization proportional to the scalar product of the spins2403.01211 · 2 Mar 2024
26. Exploring Li-ion Transport Properties of Li$_3$TiCl$_6$: A Machine Learning Molecular Dynamics Study2403.01077 · 2 Mar 2024
27. Coexisting Magnetism, Ferroelectric, and Ferrovalley Multiferroic in Stacking-Dependent Two-Dimensional Materials2403.01070 · 2 Mar 2024
28. Influence of Spatial Coherence on Phonon Transmission across Aperiodically Arranged Interfaces2403.01321 · 2 Mar 2024
29. Determining the bulk and surface electronic structure of $α$-Sn/InSb(001) with spin- and angle-resolved photoemission spectroscopy2403.01051 · 2 Mar 2024
30. Regulation of electronic structures in ReSeS monolayer with anisotropic deformations2403.01120 · 2 Mar 2024
31. Phonon-pair-driven Ferroelectricity Causes Costless Domain-walls and Bulk-boundary Duality2403.01415 · 3 Mar 2024
32. Spectral Operator Representations2403.01514 · 3 Mar 2024
33. A Predictive Model for Catalytic Methane Pyrolysis2403.01618 · 3 Mar 2024
34. Location and migration of interstitial Li ions in CsPbI$_3$ crystals2403.01557 · 3 Mar 2024
35. Grain Boundary Segregation Models for High-Entropy Alloys: Theoretical Formulation and Derived Analytical Expressions to Elucidate High-Entropy Grain Boundaries2403.01603 · 3 Mar 2024
36. Tuning charge density wave of kagome metal ScV6Sn62403.02463 · 4 Mar 2024
37. Influence of GaN substrate miscut on the XRD quantification of plastic relaxation in InGaN2403.02213 · 4 Mar 2024
38. Can we predict mixed grain boundaries from their tilt and twist components?2403.02070 · 4 Mar 2024
39. Design, fabrication, and performance of a versatile graphene epitaxy system for the growth of epitaxial graphene on SiC2403.02021 · 4 Mar 2024
40. nimCSO: A Nim package for Compositional Space Optimization2403.02340 · 4 Mar 2024
41. Electronic structure and conductivity in functionalized multilayer black phosphorene2403.01936 · 4 Mar 2024
42. Spectroscopic investigations on trivalent ruthenium ions in ruthenium perovskite oxide thin films2403.01853 · 4 Mar 2024
43. Nature of point defects in monolayer MoS2 and the MoS2/(111)Au heterojunction2403.01708 · 4 Mar 2024
44. A First-Principles Tool to Discover New Pyrometallurgical Refining Options2403.02025 · 4 Mar 2024
45. Atomic-scale effect of 2D π-conjugated metal-organic frameworks as electrocatalysts for CO2 reduction reaction towards highly selective products2403.01730 · 4 Mar 2024
46. Layered-to-Spinel Phase Transformation in Li$_{0.5}$NiO$_2$ from First Principles2403.02520 · 4 Mar 2024
47. Current-driven dynamics of antiferromagnetic skyrmions: from skyrmion Hall effects to hybrid inter-skyrmion scattering2403.01987 · 4 Mar 2024
48. Interplay between alloying and tramp element effects on temper embrittlement in bcc iron: DFT and thermodynamic insights2403.02186 · 4 Mar 2024
49. Gesture recognition with Brownian reservoir computing using geometrically confined skyrmion dynamics2403.01877 · 4 Mar 2024
50. Direct visualization of defect-controlled diffusion in van der Waals gaps2403.02494 · 4 Mar 2024
51. Enhancing thermoelectric performance of 2D Janus ISbTe by strain engineering: A first principle study2403.01916 · 4 Mar 2024
52. Probing switchable valley-related Hall effects in 2D magnetic MXenes2403.01997 · 4 Mar 2024
53. Half-Metallic Ferromagnetic Weyl Fermions Related to Dynamic Correlations in the Zinc-blende Compound VAs2403.02157 · 4 Mar 2024
54. Polarity vs Chirality: Functionality from competing magneto-structural instabilities2403.01889 · 4 Mar 2024
55. Hybrid data-driven and physics-informed regularized learning of cyclic plasticity with Neural Networks2403.01776 · 4 Mar 2024
56. A first-principles study and mesoscopic modeling of two-dimensional spin and orbital fluctuations in FeSe2403.04802 · 5 Mar 2024
57. Enhancing Magnetocaloric Material Discovery: A Machine Learning Approach Using an Autogenerated Database by Large Language Models2403.02553 · 5 Mar 2024
58. Revealing the EuCd_{2}As_{2} Semiconducting Band Gap via n-type La-Doping2403.02556 · 5 Mar 2024
59. Magnetothermopower of nodal line semimetals2403.03084 · 5 Mar 2024
60. Orbital torque switching in perpendicularly magnetized materials2403.03043 · 5 Mar 2024
61. First Principles Validation of Energy Barriers in Ni$_{75}$Al$_{25}$2403.03282 · 5 Mar 2024
62. Globally-stable and metastable crystal structure enumeration using polynomial machine learning potentials in elemental As, Bi, Ga, In, La, P, Sb, Sn, and Te2403.02570 · 5 Mar 2024
63. Discovering Melting Temperature Prediction Models of Inorganic Solids by Combining Supervised and Unsupervised Learning2403.03092 · 5 Mar 2024
64. Review of Nanolayered Post-transition Metal Monochalcogenides: Synthesis, Properties, and Applications2403.02956 · 5 Mar 2024
65. Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap prediction2403.03466 · 6 Mar 2024
66. Data based constitutive modelling of rate independent inelastic effects in composite cables using Preisach hysteresis operators2403.03531 · 6 Mar 2024
67. Competing magnetic correlations and uniaxial anisotropy in (Fe$_{1-x}$Mn$_{x}$)$_2$AlB$_2$ single crystals2403.03415 · 6 Mar 2024
68. The role of interfacial interactions and oxygen vacancies in tuning magnetic anisotropy in LaCrO$_{3}$/LaMnO$_{3}$ heterostructures2403.03764 · 6 Mar 2024
69. Modelling the inelastic constitutive behaviour of multi-layer spiral strands. Comparison of hysteresis operator approach to multi-scale model2403.03520 · 6 Mar 2024
70. Two-dimensional Kagome-in-Honeycomb materials (MN$_4$)$_3$C$_{32}$ (M=Pt or Mn)2403.03402 · 6 Mar 2024
71. Revisiting phonon thermal transport in two-dimensional gallium nitride: higher-order phonon-phonon and phonon-electron scattering2403.03673 · 6 Mar 2024
72. Engineering of a Layered Ferromagnet via Graphitization: An Overlooked Polymorph of GdAlSi2403.03735 · 6 Mar 2024
73. Collision Cascade-Driven Evolution of Vacancy Defects in Ni-Based Concentrated Solid-Solution Alloys2403.03922 · 6 Mar 2024
74. Tellurization of Pd(111): absence of PdTe$_2$ but formation of a TePd$_2$ surface alloy2403.03564 · 6 Mar 2024
75. Anisotropic power diagrams for polycrystal modelling: efficient generation of curved grains via optimal transport2403.03571 · 6 Mar 2024
76. Illuminating the property space in crystal structure prediction using Quality-Diversity algorithms2403.03511 · 6 Mar 2024
77. Atom probe tomography: a local probe for chemical bonds in solids2403.04093 · 6 Mar 2024
78. Projector-based efficient estimation of force constants2403.03588 · 6 Mar 2024
79. Impurities, or dopants, that is the question2403.03480 · 6 Mar 2024
80. Lattice thermal conductivity and mechanical properties of the single-layer penta-NiN2 explored by a deep-learning interatomic potential2403.03515 · 6 Mar 2024
81. Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials' Surfaces2403.04217 · 7 Mar 2024
82. Evaporation of cations from non-conductive nano-samples using single-cycle THz pulses: an experimental and theoretical study2403.04470 · 7 Mar 2024
83. Pressure tuning of hydrogen bond ordering in the metal-organic framework [(CH3)2NH2]Mn(HCOO)32403.04241 · 7 Mar 2024
84. Speeding up all-electron real-time TDDFT demonstrated by the exciting package2403.04351 · 7 Mar 2024
85. Direct observation of electronic band gap and hot carrier dynamics in GeAs semiconductor2403.04587 · 7 Mar 2024
86. Non-equilibrium Magnon Engineering Enabling Significant Thermal Transport Modulation2403.04166 · 7 Mar 2024
87. Insights into Chemical and Structural Order at Planar Defects in a Functional Oxide Using Multislice Electron Ptychography2403.04904 · 7 Mar 2024
88. Resonant Quantum Magnetodielectric Effect in Multiferroic Metal-Organic Framework [CH3NH3]Co(HCOO)32403.04244 · 7 Mar 2024
89. Improved sequentially processed Cu(In,Ga)(S,Se)2 by Ag alloying2403.04394 · 7 Mar 2024
90. The Exotic Quasisolidity and Supersolidity of Water2404.01309 · 7 Mar 2024
91. OH$^-$ ions can reduce the iodide migration in MAPI2403.04188 · 7 Mar 2024
92. Emergent impervious band crossing in the bulk in topological nodal line semimetal ZrAs$_2$2403.04434 · 7 Mar 2024
93. Effects of mechanical stress, chemical potential, and coverage on hydrogen solubility during hydrogen-enhanced decohesion of ferritic steel grain boundaries: A first-principles study2403.04741 · 7 Mar 2024
94. Spin-Phonon interaction in quasi 2D- Cr$_2Te_3$2403.04426 · 7 Mar 2024
95. Simulating Charged Defects at Database Scale2403.05689 · 8 Mar 2024
96. Bond Dipole based Geometric Theory of Band Alignment2403.05509 · 8 Mar 2024
97. Estimation of Electronic Band Gap Energy From Material Properties Using Machine Learning2403.05119 · 8 Mar 2024
98. Design of Magnetic Polar Double-Double Perovskite Oxides through Cation Ordering2403.05498 · 8 Mar 2024
99. Identifying the Origin of Thermal Modulation of Exchange Bias in MnPS3/Fe3GeTe2 van der Waals Heterostructures2403.05383 · 8 Mar 2024
100. Observation of Topological Hall Effect and Skyrmions in Pt/Co/Ir/Co/Pt System2403.05469 · 8 Mar 2024