相关论文: 4D-QENS Analysis of Correlated Ionic Conduction in…

Understanding ion-transport under molecular confinement is essential for developing next-generation energy technologies, where ionic motion often occurs within nanoscale or angstrom-scale channels. In this study, we use the model system of…

Since the discovery of high-temperature superconductivity, studying the upper critical field and its anisotropy has been crucial for understanding superconducting mechanism and guiding applications. Here we perform in situ high-pressure…

Mixed-anion compounds, which incorporate multiple types of anions into materials, displays tailored crystal structures and physical/chemical properties, garnering immense interests in various applications such as batteries, catalysis,…

Here we report the preparation and superconductivity of the 133-type Cr-based quasi-one-dimensional (Q1D) RbCr3As3 single crystals. The samples were prepared by the deintercalation of Rb+ ions from the 233-type Rb2Cr3As3 crystals which were…

Recently a new family of Cr-based A2Cr3As3 (A = K, Rb, Cs) superconductors were reported, which own a rare quasi-one-dimensional (Q1D) crystal structure with infinite (Cr3As3)2- chains and exhibit intriguing superconducting characteristics…

We systematically demonstrate the temperature-dependent thermal transport properties in crystalline Ge$_2$Sb$_2$Te$_5$via first-principles density functional theory-informed linearized Boltzmann transport equation. The investigation,…

Understanding ionic transport under strong confinement is crucial for the design of next-generation energy, catalytic, and information-processing materials; however, repeated field-driven ion motion often degrades conventional solid…

The self-diffusion constant D is expressed in terms of transitions among the local minima of the potential (inherent structure, IS) and their correlations. The formulae are evaluated and tested against simulation in the supercooled,…

First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…

We studied the correlation among structure and transport properties and superconductivity in the different $A_x$Fe$_2$Se$_2$ single crystals ($A$ = K, Rb, and Cs). Two sets of (00$l$) reflections are observed in the X-ray single crystal…

We report inelastic x-ray scattering experiments on the lattice dynamics in SmFeAsO and superconducting SmFeAsO$_{0.6}$F$_{0.35}$ single crystals. Particular attention was paid to the dispersions along the [100] direction of three optical…

We investigate the possible superconducting instabilities of strongly correlated electron materials using a generalization of linear response theory to external pairing fields depending on frequency. We compute a pairing susceptibility…

Neutrons have played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Neutron measurements of the phonon density-of-state are in…

Understanding transport behavior in nanoconfined environments is critical to many natural and engineering systems, including cementitious materials, yet its molecular-level mechanisms remain poorly understood. Here, molecular dynamics (MD)…

London, $\lambda_L (T)$, and Campbell, $\lambda_{C} (T)$, penetration depths were measured in single crystals of a topological superconductor candidate $\text{AuSn}_4$. At low temperatures, $\lambda_L (T)$ is exponentially attenuated and,…

We have developed a novel methodology utilizing molecular dynamics simulations to evaluate the ionization yields of nuclear recoils in crystalline silicon. This approach enables analytical exploration of atomic-scale transport within the…

We study superconductivity in the superionic phase of the clathrate hydride Li$_2$MgH$_{16}$, where hydrogen ions diffuse among the lattice formed by lithium and magnesium ions. By employing the stochastic path-integral approach, we…

We report a neutron scattering study on the tetragonal compound Sr_2Cu_3O_4Cl_2, which has two-dimensional (2D) interpenetrating Cu_I and Cu_{II} subsystems, each forming a S=1/2 square lattice quantum Heisenberg antiferromagnet (SLQHA).…

We have performed quasielastic and inelastic neutron scattering (QENS and INS) measurements from 300 K to 1173 K to investigate the Na-diffusion and underlying host dynamics in Na2Ti3O7. The QENS data show that the Na atoms undergo…

While methods based on density-functional perturbation theory have dramatically improved our understanding of electron-phonon contributions to transport in materials, methods for accurately capturing electron-electron scattering relevant to…