arXiv subjects

Yiou Zhang

Publications and source records attributed to Yiou Zhang.

17 recordsLinked to original sources

arXiv2025

Evidence for Bose liquid from anomalous shot noise in nanojunctions of bad metal beta-Ta

We report anomalous shot noise in nanojunctions of beta-tantalum, a ``bad" metal whose electronic properties are inconsistent with the Fermi liquid theory. Fano factors cluster around even multiples of the values expected for Fermi liquids, suggesting that beta-Ta may host a correlated charge liquid of Cooper pair-like electron groups. Further evidence for correlations is provided by the effects of magnetic impurities, as well as reduced density of states near the Fermi level indicated by point contact spectroscopy and first principles calculations. Our results open new avenues for studies and applications of electron correlations.

cond-mat.mtrl-sci↗

arXiv2025

The role of electron interactions in a failed insulator revealed by shot noise

In materials known as failed insulators, electrical resistivity increases as temperature decreases, yet does not diverge - a phenomenon inconsistent with single-particle theories. We investigate the origin of this behavior by measuring shot noise in nanojunctions of nitrogen-doped beta-Ta, a prototypical failed insulator. Junctions as short as 8 nanometers exhibit hot-electron shot noise, indicating strong electron interactions. We show that charge hopping mediated by these interactions explains the anomalous electronic properties. Our findings open new avenues for exploiting electron interactions in spin-orbitronic and superconducting applications of failed insulators.

cond-mat.mes-hall↗

arXiv2025

Symmetries of electron interactions in Hubbard models of unconventional superconductors

We use symmetry arguments to show that the matrix elements of electron-electron interaction on a lattice reach extrema in states composed of wavevectors near high-symmetry points of the Brillouin zone. The mechanism is illustrated by minimal models of cuprates and Fe-based superconductors, where this dependence originates from the wavevector-dependent orbital composition of wavefunctions. We discuss how these dependences can facilitate finite-momentum pairing. Our results provide symmetry-based guidance for the search for new high-temperature superconductors.

cond-mat.supr-con↗

arXiv2024

Observation of Rashba Magnetism in Ultrathin Ferromagnet-Heavy Metal Bilayers

Both magnetism and spin-orbit coupling in systems with broken inversion symmetry lift the spin degeneracy of electronic bands, but the consequences of interplay between these mechanisms remain poorly understood. Here, we show that ultrathin transition ferromagnet-heavy metal bilayers exhibit anomalous temperature- and electric bias-dependent behaviors in the vicinity of the Curie temperature, inconsistent with the usual Weiss magnetism. Characterization by several complementary techniques and analysis of the dependence on composition reveal that these effects originate from interfacial spin-orbit interaction, which results in the emergence of a state with distinct magnetic and magnetoelectronic properties that can be described as Rashba magnetism. Our findings open a new route for the characterization and control of spin-orbit phenomena in heterostructures enabling the development of efficient spin-orbitronic devices.

cond-mat.mtrl-sci↗

arXiv2024

Shot noise in a metal close to Mott transition

SrIrO$_3$ is a metallic complex oxide with unusual electronic and magnetic properties believed to originate from electron correlations due to its proximity to Mott metal-insulator transition. However, the nature of its electronic state and the mechanism of metallic conduction remain poorly understood. We demonstrate that shot noise produced by nanoscale SrIrO$_3$ junctions is strongly suppressed, inconsistent with diffusive quasiparticle transport. Analysis of thermal effects and scaling with the junction length reveals that conduction is mediated by collective hopping of electrons almost localized by correlations. Our results provide insight into the non-Fermi liquid state close to Mott transition, and advance shot noise measurements as a powerful technique for the studies of quantum materials.

cond-mat.str-el↗

arXiv2023

Electronic Noise of a Single Skyrmion

To enable the practical use of skyrmion-based devices, it is essential to achieve a balance between energy efficiency and thermal stability, while also ensuring reliable electrical detection against noise. Understanding how a skyrmion interacts with material disorder and external perturbations is thus essential. Here we investigate the electronic noise of a single skyrmion under the influence of thermal fluctuations and spin currents in a magnetic thin film. We detect the thermally induced noise with a 1/f signature in the strong pinning regime but a random telegraph noise in the intermediate pinning regime. Both the thermally dominated and current-induced telegraph-like signals are detected in the weak pinning regime. Our results provide a comprehensive electronic noise picture of a single skyrmion, demonstrating the potential of noise fluctuation as a valuable tool for characterizing the pinning condition of a skyrmion. These insights could also aid in the development of low-noise and reliable skyrmion-based devices.

cond-mat.mes-hall↗

arXiv2018

Quasicrystalline 30° Twisted Bilayer Graphene as an Incommensurate Superlattice with Strong Interlayer Coupling

The interlayer coupling can be used to engineer the electronic structure of van der Waals heterostructures (superlattices) to obtain properties that are not possible in a single material. So far research in heterostructures has been focused on commensurate superlattices with a long-ranged Moiré period. Incommensurate heterostructures with rotational symmetry but not translational symmetry (in analogy to quasicrystals) are not only rare in nature, but also the interlayer interaction has often been assumed to be negligible due to the lack of phase coherence. Here we report the successful growth of quasicrystalline 30° twisted bilayer graphene (30°-tBLG) which is stabilized by the Pt(111) substrate, and reveal its electronic structure. The 30°-tBLG is confirmed by low energy electron diffraction and the intervalley double-resonance Raman mode at 1383 cm$^{-1}$. Moreover, the emergence of mirrored Dirac cones inside the Brillouin zone of each graphene layer and a gap opening at the zone boundary suggest that these two graphene layers are coupled via a generalized Umklapp scattering mechanism, i.e. scattering of Dirac cone in one graphene layer by the reciprocal lattice vector of the other graphene layer. Our work highlights the important role of interlayer coupling in incommensurate quasicrystalline superlattices, thereby extending band structure engineering to incommensurate superstructures.

cond-mat.mtrl-sci↗

arXiv2018

Stability of wurtzite semi-polar surfaces: algorithms and practices

A complete knowledge of absolute surface energies with any arbitrary crystal orientation is important for the improvements of semiconductor devices because it determines the equilibrium and nonequilibrium crystal shapes of thin films and nanostructures. It is also crucial in the control of thin film crystal growth and surface effect studies in broad research fields. However, obtaining accurate absolute formation energies is still a huge challenge for the semi-polar surfaces of compound semiconductors. It mainly results from the asymmetry nature of crystal structures and the complicated step morphologies and related reconstructions of these surface configurations. Here we propose a general approach to calculate the absolute formation energies of wurtzite semi-polar surfaces by first-principles calculations, taking GaN as an example. We mainly focused on two commonly seen sets of semi-polar surfaces: a-family (11-2X) and m-family (10-1X). For all the semi-polar surfaces that we have calculated in this paper, the self-consistent accuracy is within 1.5 meV/Å^2. Our work fills the last technical gap to fully investigate and understand the shape and morphology of compound semiconductors.

cond-mat.mtrl-sci↗

arXiv2017

Hydrogen Surfactant Assisted Coherent Growth of GaN on ZnO Substrate

Heterostructures of wurtzite based devices have attracted great research interests since the tremendous success of GaN in light emitting diodes (LED) industry. Among the possible heterostructure material candidates, high quality GaN thin films on inexpensive and lattice matched ZnO substrate are both commercially and technologically desirable. However, the energy of ZnO polar surfaces is much lower than that of GaN polar surfaces. Therefore, the intrinsic wetting condition forbids such heterostructures. As a result, poor crystal quality and 3D growth mode were obtained. To dramatically change the growth mode of the heterostructure, we propose to use hydrogen as a surfactant, confirmed by our first principles calculations. Stable H involved surface configurations and interfaces are investigated, with the help of newly developed algorithms. By applying the experimental Gibbs free energy of H$_2$, we also predict the temperature and chemical potential of H, which is critical in experimental realizations of our strategy. This novel approach will for the first time make the growth of high quality GaN thin films on ZnO substrates possible. We believe that our new strategy may reduce the manufactory cost and improve the crystal quality and the efficiency of GaN based devices.

cond-mat.mtrl-sci↗

arXiv2017

Defect Properties of Na and K in Cu2ZnSnS4 from Hybrid Functional Calculation

In-growth or post-deposition treatment of $Cu_{2}ZnSnS_{4}$ (CZTS) absorber layer had led to improved photovoltaic efficiency, however, the underlying physical mechanism of such improvements are less studied. In this study, the thermodynamics of Na and K related defects in CZTS are investigated from first principle approach using hybrid functional, with chemical potential of Na and K established from various phases of their polysulphides. Both Na and K predominantly substitute on Cu sites similar to their behavior in $Cu(In,Ga)Se_{2}$, in contrast to previous results using the generalized gradient approximation (GGA). All substitutional and interstitial defects are shown to be either shallow levels or highly energetically unfavorable. Defect complexing between Na and abundant intrinsic defects did not show possibility of significant incorporation enhancement or introducing deep n-type levels. The possible benefit of Na incorporation on enhancing photovoltaic efficiency is discussed. The negligible defect solubility of K in CZTS also suggests possible surfactant candidate.

cond-mat.mtrl-sci↗

arXiv2017

A novel strategy to control defects and secondary phases of CZTS by surfactant Potassium

Cu2ZnSnS4 (CZTS) is a promising photovoltaic absorber material with earth abundant and nontoxic elements. However, the detrimental native defects and secondary phases of CSTS will largely reduce the energy conversion efficiencies. To understand the origin of these problems during the growth of CZTS, we investigated the kinetic processes on CZTS (-1-1-2) surface, using first principles calculations. A surface Zn atom was found to occupy the subsurface Cu site easily due to a low reaction barrier, which may lead to a high ZnCu concentration and a secondary phase of ZnS. These n-type defects may create deep electron traps near the interface and become detrimental to device performance. To reduce the population of ZnCu and the secondary phase, we propose to use K as a surfactant to alter surface kinetic processes. Improvements on crystal quality and device performance based on this surfactant are consistent with early experimental observations.

cond-mat.mtrl-sci↗

arXiv2017

Step Stone Effect: A sp anti-bonding Mediated Long-Range Ferromagnetism in Cr-doped Carrier-Free Bi2Te3

Despite the recent success in the realization of the quantum anomalous Hall effect, the underlying physical mechanism of the long range Ferromagnetism is still unclear. Based on our density functional theory calculations, we discovered an intriguing long-range ferromagnetic order in Cr-doped, carrier-free Bi2Te3, with the separation between dopants more than 8 Å. We found that this magnetic coupling is facilitated by an anti-bonding state originated from the lone pair of a Te 5p state and a Bi 6s state, despite this anti-bonding state lies below the valence band maximum. Such a state serves as a hidden step stone merged in the electron sea and mediates the long-range magnetic order. An effective electron hopping model is proposed to explain this mechanism. This novel mechanism sheds light on the understanding of long-range ferromagnetism in insulators and may lead to the realization of the long-range magnetic order in dilute magnetic semiconductors.

cond-mat.mtrl-sci↗

arXiv2016

Surfactant Antimony enhanced Indium incorporation on InGaN (000-1) surface: a DFT study

InGaN is an ideal alloy system for optoelectronic devices due its tunable band gap. Yet high-quality InGaN requires high In concentration, which is a challenging issue that limits its use in green-light LEDs and other devices. In this paper, we investigated the surfactant effect of Sb on the In incorporation on InGaN (000-1) surface via first-principles approaches. Surface phase diagram was also constructed to determine surface structures under different growth conditions. By analyzing surface stress under different structures, we found that Sb adatom can induce tensile sites in the cation layer, enhancing the In incorporation. These fi ndings may provide fundamental understandings and guidelines for the growth of InGaN with high In concentration.

cond-mat.mtrl-sci↗

arXiv2015

Induced effects by the substitution of Zn in Cu2ZnSnX4 (X = S and Se)

Based on the density functional theory with hybrid functional approach, we have studied the structural and thermodynamic stabilities of Cu2MSnX4 (M = Zn, Mg, and Ca; X = S and Se) alloy, and have further investigated the electronic and optical properties of stable Cu2MgSnS4 and Cu2MgSnSe4 phases. Thermal stability analysis indicates that Cu2MgSnS4 and Cu2MgSnSe4 are thermodynamically stable, while Cu2CaSnS4 and Cu2CaSnSe4 are unstable. The ground state configuration of the compound changes from kesterite into stannite structure when Zn atoms are substitued by larger Mg or Ca atoms. An energy separation between stannite and kesterite phase similar to that of CZTS is observed. Calculated electronic structures and optical properties suggest that Cu2MgSnS4 and Cu2MgSnSe4 can be efficient photovoltaic materials.

cond-mat.mtrl-sci↗

arXiv2015

Realization of Stable Ferromagnetic Order in Topological Insulator: Codoping Enhanced Magnetism in 4f Transition Metal Doped Bi2Se3

The realization of long range and insulating ferromagnetic states in topological insulator (TI) has been a pressing issue since its discovery. Only recently, such state was achieved in Cr-doped Bi2-xSbxTe3, leading to the discovery of quantum anomalous Hall effect (QAHE). However, the effect is only observed at extremely low temperatures mainly due to the limited magnetism. To fully understand the mechanism of the ferromagnetic ordering whereby improving the ferromagnetism, we investigated 4f transition metal-doped Bi2Se3, using density-functional-theory approaches. We found that Eu and Sm prefer the Bi substitutional sites with large magnetic moments to ensure stable long-range ferromagnetic states. Additionally, codoping can be a novel strategy to preserve the insulating property of the host material as well as improving the incorporation of magnetic dopants. Our findings thus offer the critical step in facilitating the realization of QAHE in TI systems.

cond-mat.mtrl-sci↗

arXiv2015

Surface energy calculations from Zinc blende (111)/(-1-1-1) to Wurtzite (0001)/(000-1):a study of ZnO and GaN

The accurate absolute surface energies of (0001)/(000-1) surfaces of wurtzite structures are crucial in determining the thin film growth mode of important energy materials. However, the surface energies still remain to be solved due to the intrinsic difficulty of calculating dangling bond energy of asymmetrically bonded surface atoms. In this study, we used a pseudo-hydrogen passivation method to estimate the dangling bond energy and calculate the polar surfaces of ZnO and GaN. The calculations were based on the pseudo chemical potentials obtained from a set of tetrahedral clusters or simple pseudo-molecules, using density functional theory approaches. And the surface energies of (0001)/(000-1) surfaces of wurtzite ZnO and GaN we obtained showed relatively high self-consistencies. A wedge structure calculation with a new bottom surface passivation scheme of group I and group VII elements was also proposed and performed to show converged absolute surface energy of wurtzite ZnO polar surfaces, and the result were also compared with the above method. These calculations and comparisons may provide important insights to crystal growths of the above materials, thereby leading to significant performance enhancements of semiconductor devices.

cond-mat.mtrl-sci↗

arXiv2015

Pseudo-Hydrogen Passivation_A Novel Way to Calculate Absolute Surface Energy of Zinc Blende (111) Surface

Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate them, using density functional theory approaches. By calculating the energy contribution from pseudo-hydrogen using either a pseudo molecule method or a tetrahedral cluster method, we obtained (111) surfaces energies of Si, GaP, and ZnS with high self-consistency. This method quantitatively confirms that surface energy is determined by the number and the energy of dangling bonds of surface atoms. Our findings may greatly enhance the basic understandings of different surfaces and lead to novel strategies in the crystal growth.

cond-mat.mtrl-sci↗