Zhigang Gui
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View article: Sliding Engineering Spin-Valley-Layer Coupling and Altermagnetism in Bilayer Antiferromagnetic Honeycomb Lattices
Sliding Engineering Spin-Valley-Layer Coupling and Altermagnetism in Bilayer Antiferromagnetic Honeycomb Lattices Open
Valley polarization and altermagnetism are two emerging fundamental phenomena in condensed matter physics, offering unprecedented opportunites for information encoding and processing in novel energy-efficient devices. By coupling valley an…
View article: Unconventional charge density wave in a kagome lattice antiferromagnet FeGe
Unconventional charge density wave in a kagome lattice antiferromagnet FeGe Open
FeGe is a kagome material that exhibits both charge density wave (CDW) order and magnetic order. The CDW order is developed deep inside the A-type antiferromagnetic phase in FeGe, providing a unique platform to investigate the interplay be…
View article: Pressure tuning of superconductivity in TiN thin films
Pressure tuning of superconductivity in TiN thin films Open
Titanium nitride (TiN) thin films are used for the fabrication of superconducting devices due to their chemical stability against oxidization and high quality at interfaces. The high-pressure technique serves as a useful tool to understand…
View article: Stoner instability-mediated large magnetoelectric effects in 2D stacking electrides
Stoner instability-mediated large magnetoelectric effects in 2D stacking electrides Open
Strong magnetoelectric effects in single-phase two-dimensional (2D) materials are extremely rare in nature. Here by first-principles calculations, we find a strong magnetoelectric coupling in polar stacking bilayer Hf 2 S that allows the r…
View article: Large Improvement of Thermoelectric Performance by Magnetism in Co‐Based Full‐Heusler Alloys
Large Improvement of Thermoelectric Performance by Magnetism in Co‐Based Full‐Heusler Alloys Open
Full‐Heusler alloys (fHAs) exhibit high mechanical strength with earth‐abundant elements, but their metallic properties tend to display small electron diffusion thermopower, limiting potential applications as excellent thermoelectric (TE) …
View article: Polar Nitride Perovskite LaWN<sub>3‐<i>δ</i></sub> with Orthorhombic Structure
Polar Nitride Perovskite LaWN<sub>3‐<i>δ</i></sub> with Orthorhombic Structure Open
Nitride perovskite LaWN 3 has been predicted to be a promising ferroelectric material with unique properties for diverse applications. However, due to the challenging sample preparation at ambient pressure, the crystal structure of this ni…
View article: Pressure-induced transition from a Mott insulator to a ferromagnetic Weyl metal in La2O3Fe2Se2
Pressure-induced transition from a Mott insulator to a ferromagnetic Weyl metal in La2O3Fe2Se2 Open
The insulator-metal transition in Mott insulators, known as the Mott transition, is usually accompanied with various novel quantum phenomena, such as unconventional superconductivity, non-Fermi liquid behavior and colossal magnetoresistanc…
View article: Record-high-Tc elemental superconductivity in scandium
Record-high-Tc elemental superconductivity in scandium Open
Elemental materials provide clean and fundamental platforms for studying superconductivity. However, the highest superconducting critical temperature (Tc) yet observed in elements has not exceeded 30 K. Discovering elemental superconductor…
View article: Emergent superconducting fluctuations in a compressed kagome superconductor
Emergent superconducting fluctuations in a compressed kagome superconductor Open
The recent discovery of superconductivity (SC) and charge density wave (CDW) in kagome metals AV3Sb5 (A = K, Rb, Cs) provides an ideal playground for the study of emergent electronic orders. Application of moderate pressure leads to a two-…
View article: Van der Waals Layered Ferroelectric CuInP2S6: Physical Properties and Device Applications
Van der Waals Layered Ferroelectric CuInP2S6: Physical Properties and Device Applications Open
Copper indium thiophosphate, CuInP2S6, has attracted much attention in recent years due to its van der Waals layered structure and robust ferroelectricity at room temperature. In this review, we aim to give an overview of the various prope…
View article: The Electronic Transport Channel Protection and Tuning in Real Space to Boost the Thermoelectric Performance of Mg <sub> 3+ <i>δ</i> </sub> Sb <sub> 2- <i>y</i> </sub> Bi <i> <sub>y</sub> </i> near Room Temperature
The Electronic Transport Channel Protection and Tuning in Real Space to Boost the Thermoelectric Performance of Mg <sub> 3+ <i>δ</i> </sub> Sb <sub> 2- <i>y</i> </sub> Bi <i> <sub>y</sub> </i> near Room Temperature Open
The optimization of thermoelectric materials involves the decoupling of the transport of electrons and phonons. In this work, an increased Mg 1 -Mg 2 distance, together with the carrier conduction network protection, has been shown as an e…
View article: Carrier density control of magnetism and Berry phases in doped EuTiO3
Carrier density control of magnetism and Berry phases in doped EuTiO3 Open
In materials with broken time-reversal symmetry, the Berry curvature acts as a reciprocal space magnetic field on the conduction electrons and is a significant contribution to the magnetotransport properties, including the intrinsic anomal…
View article: Hybrid-Functional Calculations of the Copper Impurity in Silicon
Hybrid-Functional Calculations of the Copper Impurity in Silicon Open
We calculate formation energies and transition levels for copper-related defects in silicon using the screened hybrid functional of Heyd, Scuseria, and Ernzerhof HSE06. We consider Cu siting on interstitial sites (Cui), a subs…
View article: Valence-band offsets of CoTiSb/In0.53Ga0.47As and CoTiSb/In0.52Al0.48As heterojunctions
Valence-band offsets of CoTiSb/In0.53Ga0.47As and CoTiSb/In0.52Al0.48As heterojunctions Open
The valence-band offsets, ΔEv, between semiconducting half-Heusler compound CoTiSb and lattice-matched III-V In0.53Ga0.47As and In0.52Al0.48As heterojunction interfaces have been measured using X-ray photoemission spectroscopy (XPS). These…
View article: Discovery of stable skyrmionic state in ferroelectric nanocomposites
Discovery of stable skyrmionic state in ferroelectric nanocomposites Open
Non-coplanar swirling field textures, or skyrmions, are now widely recognized as objects of both fundamental interest and technological relevance. So far, skyrmions were amply investigated in magnets, where due to the presence of chiral in…
View article: Electronic Properties of Electrical Vortices in Ferroelectric Nanocomposites from Large-Scale Ab Initio Computations
Electronic Properties of Electrical Vortices in Ferroelectric Nanocomposites from Large-Scale Ab Initio Computations Open
An original ab initio procedure is developed and applied to a ferroelectric nanocomposite, in order to reveal the effect of electrical vortices on electronic properties. Such procedure involves the combination of two large-scale numerical …
View article: Static and Dynamical Properties of Ferroelectrics and Related Material in Bulk and Nanostructure Forms
Static and Dynamical Properties of Ferroelectrics and Related Material in Bulk and Nanostructure Forms Open
Ferroelectrics (FE) and multiferroics (MFE) have attracted a lot of attentions due to their rich and novel properties. Studies towards FE and MFE are of both fundamental and technological importance. We use a first-principles-based effectiv…