cond-mat.mtrl-sci

How to quantify long-time rotational motion in molecular systems

This paper demonstrates that existing methods fail to quantify rotational motion in complex molecular systems like supercooled liquids and introduces a new empirical method that accurately captures the full spectrum of rotational dynamics from diffusive fluids to arrested solids, thereby resolving inconsistencies in the literature.

Pairing mechanism and superconductivity in 1313 phase La$_3$Ni$_2$O$_7$

Using DFT+DMFT and RPA methods, this study reveals that superconductivity in pressurized 1313-phase La$_3$Ni$_2$O$_7$ originates from its metallic trilayer subsystem with $s^{\pm}$-wave pairing, while its critical temperature is significantly suppressed by hole doping and interlayer Josephson coupling through insulating single-layer bridges, suggesting that the high-$T_c$ phase in this family actually belongs to the 2222 structure rather than the 1313 phase.

Chiral spin-textures in van der Waals heterostructures

This review article examines the fundamental mechanisms, experimental advances, and theoretical insights regarding the formation and manipulation of chiral spin textures in van der Waals heterostructures, while outlining future challenges for developing robust, room-temperature spintronic devices.

Emergence of a non-bulk hexagonal Fe$_2$S$_2$ single layer via phase transformation

This paper reports the successful synthesis and characterization of a previously unknown, non-bulk hexagonal Fe$_2$S$_2$ single layer with a $\beta$-CuI structure, which is stabilized on a graphene/Ir(111) substrate through the thermal transformation of mackinawite and confirmed by combined experimental microscopy and first-principles calculations.

Two-gap to Single-gap Transition and Two-dome-like Superconductivity in Alkali-Metal Intercalated Bilayer PdTe2

This study utilizes first-principles calculations to demonstrate that alkali-metal intercalation in bilayer PdTe2 significantly enhances superconductivity through a two-dome-like evolution of the transition temperature and a distinct two-gap to single-gap transition driven by interlayer coupling modulation, while also preserving nontrivial band topology.

Self-consistent evaluation of the Berry connection for Wannier functions

This paper proposes a self-consistent interpolation scheme based on the matrix logarithm that significantly improves the accuracy of Berry connection evaluations and optical conductivity calculations by explicitly accounting for the matrix structure of overlap matrices and quantifying the impact of basis set incompleteness.

Effect of Mn Substitution on Superconductivity in PrFeAs(O,F): Role of Magnetic Impurities

This study demonstrates that substituting Fe with Mn in PrFeAs(O,F) acts as a potent magnetic impurity that suppresses superconductivity and induces insulating-like behavior, while also revealing the enhanced robustness of superconductivity in Pr-based systems compared to other rare-earth variants.

Nickel intercalation in epitaxial graphene on SiC(0001): a novel platform for engineering two-dimensional heterostructures

This paper demonstrates a scalable method for intercalating nickel beneath epitaxial graphene on SiC(0001) using colloidal nanoparticle deposition and thermal annealing, resulting in a stable 2D heterostructure with robust interfacial magnetism that is promising for next-generation spintronic applications.

Neural surrogates for crystal growth dynamics with variable supersaturation: explicit vs. implicit conditioning

Amorphous Nanoconfinement Enables Self-sustaining Sabatier Reaction at Ambient Conditions

This paper reports an amorphous silica-embedded ruthenium catalyst that enables a self-sustaining, autothermal Sabatier reaction under ambient conditions by leveraging amorphous nanoconfinement to create localized hot spots and suppress heat loss, thereby achieving high methane yields without external energy input.