arXiv subjects

Bo Da

Publications and source records attributed to Bo Da.

11 recordsLinked to original sources

arXiv2025

Large Negative Magnetoresistance in Antiferromagnetic Gd2Se3

Rare earth chalcogenides provide a great platform to study exotic quantum phenomena such as superconductivity and charge density waves. Among various interesting properties, the coupling between magnetism and electronic transport has attracted significant attention. Here, we report the investigation of such coupling in {alpha}-Gd2Se3 single crystals through magnetic, calorimetric, and transport property measurements. {alpha}-Gd2Se3 is found to display an antiferromagnetic ground state below 11 K with metamagnetic spin-flop transitions. The magnetic fluctuations remain strong above the transition temperature. Transport measurements reveal an overall metallic transport behavior with a large negative magnetoresistance of ~ 65% near the magnetic transition temperature, together with positive MR near the field-induced spin-flop transitions, which can be understood in terms of the suppression of spin scattering by the magnetic field.

cond-mat.mtrl-sci↗

arXiv2024

Tuning Magnetism in Ising-type van der Waals Magnet FePS3 by Lithium Intercalation

Recently, layered materials transition metal thiophosphate MPX3 (M = transition metals, X = S or Se) have gained significant attention because of their rich magnetic, optical, and electronic properties. Specifically, the diverse magnetic structures and the robustness of magnetism in the two-dimensional limit have made them prominent candidates to study two-dimensional magnetism. Numerous efforts such as substitutions and interlayer intercalations have been made to tune the properties of these materials, which has greatly deepened the understanding of the underlying mechanisms that govern the properties. In this work, we focus on modifying the magnetism of Ising-type antiferromagnet FePS3 using electrochemical lithium intercalation. Our work unveils the effectiveness of electrochemical intercalation as a controllable tool to modulating magnetism, including tuning magnetic ordering temperature and inducing low temperature spin-glass state, offering an approach for implementing this material into applications.

cond-mat.mtrl-sci↗

arXiv2024

Insulator-to-Metal Transition and Isotropic Gigantic Magnetoresistance in Layered Magnetic Semiconductors

Magnetotransport, the response of electrical conduction to external magnetic field, acts as an important tool to reveal fundamental concepts behind exotic phenomena and plays a key role in enabling spintronic applications. Magnetotransport is generally sensitive to magnetic field orientations. In contrast, efficient and isotropic modulation of electronic transport, which is useful in technology applications such as omnidirectional sensing, is rarely seen, especially for pristine crystals. Here we propose a strategy to realize extremely strong modulation of electron conduction by magnetic field which is independent of field direction. GdPS, a layered antiferromagnetic semiconductor with resistivity anisotropies, supports a field-driven insulator-to-metal transition with a paradoxically isotropic gigantic negative magnetoresistance insensitive to magnetic field orientations. This isotropic magnetoresistance originates from the combined effects of a near-zero spin-orbit coupling of Gd3+-based half-filling f-electron system and the strong on-site f-d exchange coupling in Gd atoms. Our results not only provide a novel material system with extraordinary magnetotransport that offers a missing block for antiferromagnet-based ultrafast and efficient spintronic devices, but also demonstrate the key ingredients for designing magnetic materials with desired transport properties for advanced functionalities.

cond-mat.mtrl-sci↗

arXiv2023

Unveiling the effect of Ni on the formation and structure of Earth's inner core

Ni is the second most abundant element in the Earth's core. Yet, its effects on the inner core's structure and formation process are usually disregarded because of its electronic and size similarity with Fe. Using ab initio molecular dynamics simulations, we find that the bcc phase can spontaneously crystallize in liquid Ni at temperatures above Fe's melting point at inner core pressures. The melting temperature of Ni is shown to be 700-800 K higher than that of Fe at 323-360 GPa. hcp, bcc, and liquid phase relation differ for Fe and Ni. Ni can be a bcc stabilizer for Fe at high temperatures and inner core pressures. A small amount of Ni can accelerate Fe's crystallization at core pressures. These results suggest Ni may substantially impact the structure and formation process of the solid inner core.

cond-mat.mtrl-sci↗

arXiv2022

Absorption bias: An ideal descriptor for radiation tolerance of nanocrystalline BCC metals

To evaluate the radiation tolerance of nanocrystalline (NC) materials, the damage effects of Fe and W as typical body-centered cubic (BCC) metals under uniform irradiation are studied by a sequential multi-scale modelling framework. An ideal descriptor, the absorption bias (the ratio of the absorption abilities of grain boundaries (GBs) to interstitials (I) and vacancies (V)), is proposed to characterize the radiation tolerance of materials with different grain sizes. Low absorption bias promotes defects annihilation through enhancing I-V recombination and optimally tuning its competition with GB absorption. Thus, the lower absorption bias, the higher anti-irradiation performance of NC BCC metals is. Furthermore, by comprehensively considering the mechanical property, thermal stability and radiation resistance, nano-crystals are recommended for Fe-based structural materials but coarse crystals for W-based plasma-facing materials. This work reevaluates the radiation resistance of NC materials, resulting in new strategies for designing structural materials of nuclear devices through manipulating grain sizes.

cond-mat.mtrl-sci↗

arXiv2022

Ab initio melting temperatures of bcc and hcp iron under the Earth's inner core condition

There has been a long debate on the stable phase of iron under the Earth's inner core conditions. Because of the solid-liquid coexistence at the inner core boundary, the thermodynamic stability of solid phases directly relates to their melting temperatures, which remains considerable uncertainty. In the present study, we utilized a semi-empirical potential fitted to high-temperature ab initio data to perform a thermodynamic integration from classical systems described by this potential to ab initio systems. This method provides a smooth path for thermodynamic integration and significantly reduces the uncertainty caused by the finite-size effect. Our results suggest the hcp phase is the stable phase of pure iron under the inner core conditions, while the free energy difference between the hcp and bcc phases is tiny, on the order of 10s meV/atom near the melting temperature.

cond-mat.mtrl-sci↗

arXiv2022

Evolution of Electronic and Magnetic Properties in Topological Semimetal SmSbxTe2-x

The ZrSiS-type materials have attracted intensive attention due to the existence of various topological fermions. The magnetic version of the ZrSiS-type materials, LnSbTe (Ln = lanthanides), is an ideal candidate to explore novel exotic states due to the interaction between magnetism and topology. In this work, we report the experimental study on structural, magnetic, thermodynamic, and electronic properties for SmSbxTe2-x with various Sb content. The revealed evolutions of these properties with tuning the compositions would provide useful insights for the fundamental topological physics and the future applications.

cond-mat.mtrl-sci↗

arXiv2021

Structure and motifs of iron oxides from 1 to 3 TPa

Iron oxides are fundamental components of planet-forming materials. Understanding the Fe-O system's behavior and properties under high pressure can help us identify many new phases and states possible in exoplanetary interiors, especially terrestrial ones. Using the adaptive genetic algorithm (AGA), we investigate the structure of iron oxides for a wide range of stoichiometries ($0.25\leq x_O \leq 0.8$) at 1, 2, and 3 TPa. Five unreported ground-state structures with Fe$_2$O, FeO, Fe$_3$O$_5$, FeO$_2$, and FeO$_4$ compositions are identified. The calculated density of states (DOS) suggests that, except for FeO$_4$, all phases are metallic, but their carrier densities decrease with increasing pressure and oxygen content. The cluster alignment analysis of stable and metastable phases shows that several motifs may co-exist in a structure of iron oxides with low O content. In contrast, most iron oxides with high O content adopt a simple BCC motif at TPa pressures. Our results provide a crystal structure database of iron oxides for modeling and understanding the interiors of exoplanets.

cond-mat.mtrl-sci↗

arXiv2021

Magnetic Topological Semimetal Phase with Electronic Correlation Enhancement in SmSbTe

The ZrSiS family of compounds hosts various exotic quantum phenomena due to the presence of both topological nonsymmorphic Dirac fermions and nodal-line fermions. In this material family, the LnSbTe (Ln= lanthanide) compounds are particularly interesting owing to the intrinsic magnetism from magnetic Ln which leads to new properties and quantum states. In this work, the authors focus on the previously unexplored compound SmSbTe. The studies reveal a rare combination of a few functional properties in this material, including antiferromagnetism with possible magnetic frustration, electron correlation enhancement, and Dirac nodal-line fermions. These properties enable SmSbTe as a unique platform to explore exotic quantum phenomena and advanced functionalities arising from the interplay between magnetism, topology, and electronic correlations.

cond-mat.mtrl-sci↗

arXiv2020

Electronic and Magnetic Properties of Topological Semimetal Candidate NdSbTe

ZrSiS-type materials represent a large material family with unusual coexistence of topological nonsymmorphic Dirac fermions and nodal-line fermions. As a special group of ZrSiS-family, LnSbTe (Ln = Lanthanide rare earth) compounds provide a unique opportunity to explore new quantum phases due to the intrinsic magnetism induced by Ln. Here we report the single crystal growth and characterization of NdSbTe, a previously unexplored LnSbTe compound. NdSbTe has an antiferromagnetic ground state with field-driven metamagnetic transitions similar to other known LnSbTe, but exhibits distinct enhanced electronic correlations characterized by large a Sommerfeld coefficient of 115 mJ/mol $K^2$, which is the highest among the known LnSbTe compounds. Furthermore, our transport studies have revealed the coupling with magnetism and signatures of Kondo localization. All these findings establish NdSbTe as a new platform for observing novel phenomena arising from the interplay between magnetism, topology, and electron correlations.

cond-mat.mtrl-sci↗

arXiv2015

Negative Probability Sampling in Study of Reflection Surface Electron Spectroscopy Spectrum

We propose a sampling method to include the negative contribution to probability density distribution in a sampling procedure. This sampling method is a universal solution for all negative probability problem and shows extraordinarily power in negative cross section problem. A Monte Carlo simulation including negative cross section contribution is developed and successfully preformed to simulate reflection electron energy loss spectroscopy (REELS) spectra for Ag and Au as examples. Excellent agreement is found between simulated spectra and experimental measurements. Notably improved fits to experimental REELS spectra in low energy loss range illustrate the method's strength as well as the necessity of negative cross section contribution.

physics.ins-det↗