Anisotropy of 2H-NbSe_(2)in the superconducting and charge density wave states

Anisotropy is an important feature of layered materials,and a large anisotropy is usually related to the two-dimensional charac teristics.We investigated the anisotropy of the layered transition metal dicalcogenide 2H-NbSe_(2)in the superconducting and charge density wave(CDW)states using magnetotransport measurements.In the superconducting state,the normalized H_(c2)^(‖c)/H_(p)is independent of the thickness of 2H-NbSe_(2),while H_(c2)^(‖ab)/H_p increases significantly with decreasing thickness,where H_p is the Pauli limiting magnetic field and H_(c2)^(‖c)anu H_(c2)^(‖ab)are the upper critical fields in the c and ab directions,respectively.It is found that the superconducting anisotropy parameterγH_(c2)=H_(c2)^(‖ab)/H_(c2)^(‖c)increases with reduction in the thickness of 2H-NbSe_(2).In the CDW state,the angular(θ)dependence of magnetoresistance,R(H,θ)scales with H(cos^(2)θ+γ_(CDW)^(-2)sin^(2)θ)^(1/2),which decreases with increasing temperature and disappears at about 40 K.It is found that the CDW anisotropy parameterγ_(CDW)is much larger than the effective mass anisotropy but does not change a lot for ultrathin and bulk samples.Our results suggest the existence of three-dimensional superconductivity and quasi-two dimensional CDWs in bulk 2H-NbSe_(2).

Electronic states of domain walls in commensurate charge density wave ground state and mosaic phase in 1T-TaS_(2)

Domain walls(DWs)in the charge-density-wave(CDW)Mott insulator 1T-TaS_(2)have unique localized states,which play an important role in exploring the electronic properties of the material.However,the electronic states in DWs in 1TTaS_(2)have not been clearly understood,mostly due to the complex structures,phases,and interlayer stacking orders in the DW areas.Here,we explored the electronic states of DWs in the large-area CDW phase and mosaic phase of 1T-TaS_(2)by scanning tunneling spectroscopy.Due to the different densities of DWs,the electronic states of DWs show distinct features in these phases.In the large area CDW phase,both the domain and the DWs(DW1,DW2,DW4)have zero conductance at the Fermi level;while in the mosaic phase,they can be metallic or insulating depending on their environments.In areas with a high density of DWs,some electronic states were observed both on the DWs and within the domains,indicating delocalized states over the whole region.Our work contributes to further understanding of the interplay between CDW and electron correlations in 1T-TaS_(2).

Manipulating charge density wave state in kagome compound RbV_(3)Sb_(5)

Owing to the unique electronic structure,kagome materials AV_(3)Sb_(5)(A=K,Rb,Cs)provide a fertile platform of quantum phenomena such as the strongly correlated state and topological Dirac band.It is well known that RbV_(3)Sb_(5)exhibits a 2×2 unconventional charge density wave(CDW)state at low temperature,and the mechanism is controversial.Here,by using scanning tunneling microscopy/spectroscopy(STM/STS),we successfully manipulated the CDW state in the Sb plane of RbV_(3)Sb_(5),and realized a new3(1/2)×3(1/2)modulation together with the ubiquitous 2×2 period in the CDW state of RbV_(3)Sb_(5).This work provides a new understanding of the collective quantum ground states in the kagome materials.

Improving the electrical performances of InSe transistors by interface engineering

InSe has emerged as a promising candidate for next-generation electronics due to its predicted ultrahigh electrical performance.However,the efficacy of the InSe transistor in meeting application requirements is hindered due to its sensitivity to interfaces.In this study,we have achieved notable enhancement in the electrical performance of InSe transistors through interface engineering.We engineered an InSe/h-BN heterostructure,effectively suppressing dielectric layer-induced scattering.Additionally,we successfully established excellent metal-semiconductor contacts using graphene ribbons as a buffer layer.Through a methodical approach to interface engineering,our graphene/InSe/h-BN transistor demonstrates impressive on-state current,field-effect mobility,and on/off ratio at room temperature,reaching values as high as 1.1 mA/μm,904 cm^(2)·V^(-1)·s^(-1),and>10~6,respectively.Theoretical computations corroborate that the graphene/InSe heterostructure shows significant interlayer charge transfer and weak interlayer interaction,contributing to the enhanced performance of InSe transistors.This research offers a comprehensive strategy to elevate the electrical performance of InSe transistors,paving the way for their utilization in future electronic applications.

Two-fold symmetry of the in-plane resistance in kagome superconductor Cs(V_(1-x)Ta_(x))_(3)Sb_(5) with enhanced superconductivity

The kagome superconductor CsV_(3)Sb_(5) has attracted widespread attention due to its rich correlated electron states including superconductivity, charge density wave(CDW), nematicity, and pair density wave. Notably, the modulation of the intertwined electronic orders by the chemical doping is significant to illuminate the cooperation/competition between multiple phases in kagome superconductors. In this study, we have synthesized a series of tantalum-substituted Cs(V_(1-x)Ta_(x))_(3)Sb_(5) by a modified self-flux method. Electrical transport measurements reveal that CDW is suppressed gradually and becomes undetectable as the doping content of x is over 0.07. Concurrently, the superconductivity is enhanced monotonically from T_(c) ~ 2.8 K at x = 0 to 5.2 K at x = 0.12. Intriguingly, in the absence of CDW, Cs(V_(1-x)Ta_(x))_(3)Sb_(5)(x = 0.12) crystals exhibit a pronounced two-fold symmetry of the in-plane angular-dependent magnetoresistance(AMR) in the superconducting state, indicating the anisotropic superconducting properties in the Cs(V_(1-x)Ta_(x))_(3)Sb_(5). Our findings demonstrate that Cs(V_(1-x)Ta_(x))_(3)Sb_(5) with the non-trivial band topology is an excellent platform to explore the superconductivity mechanism and intertwined electronic orders in quantum materials.

Influence of Charge Density and Chain Length on the Interaction between Organic Anion and Montmorillonite

Anionic surfantant sodium dodecyl sulfate （SDS）, cationic surfactant cetyl trimethyl ammonium bromide （CTAB） and acrylic acid （AA） were introduced as molecular models to study the interaction between montmorillonite and organic molecules with different charge or chain length. The compounds were characterized by X-ray diffraction （XRD）, Fourier transform infrared spectroscopy （FT-IR） and 13C nuclear magnetic resonance （13C NMR）. The results show organic anion could interact strongly with montmorillonite, even the molecules could intercalate into the layers of MMT.

Prediction of nuclear charge density distribution with feedback neural network

Nuclear charge density distribution plays an important role in both nuclear and atomic physics,for which the two-parameter Fermi(2pF)model has been widely applied as one of the most frequently used models.Currently,the feedforward neural network has been employed to study the available 2pF model parameters for 86 nuclei,and the accuracy and precision of the parameter-learning effect are improved by introducing A^(1∕3)into the input parameter of the neural network.Furthermore,the average result of multiple predictions is more reliable than the best result of a single prediction and there is no significant difference between the average result of the density and parameter values for the average charge density distribution.In addition,the 2pF parameters of 284(near)stable nuclei are predicted in this study,which provides a reference for the experiment.

Charge Density Wave States and Structural Transition in Layered Chalcogenide TaSe_(2-x)Te_x

The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy measurements. Notable changes of both average structure and the CDW state arising from Te substitution for Se are clearly demonstrated in samples with x〉0.3. The commensurate CDW state characterized by the known star-of-David clustering in the 1T-TaSe2 crystal becomes visibly unstable with Te substitution and vanishes when x=0.3. The 1T-TaSe2-xTex （0.3≤x≤1.3） samples generally adopt a remarkable incommensurate CDW state with monoclinic distortion, which could be fundamentally in correlation with the strong qq-dependent electron-phonon coupling-induced period-lattice-distortion as identified in TaTe22. Systematic analysis demonstrates that the occurrence of superconductivity is related to the suppression of the commensurate CDW phase and the presence of discommensuration is an evident structural feature observed in the superconducting samples.

Superconductivity and unconventional density waves in vanadium-based kagome materials AV_(3)Sb_(5)

Recently,the discovery of vanadium-based kagome metal AV_(3)Sb_(5)(A=K,Rb,Cs)has attracted great interest in the field of superconductivity due to the coexistence of superconductivity,non-trivial surface state and multiple density waves.In this topical review,we present recent works of superconductivity and unconventional density waves in vanadium-based kagome materials AV_(3)Sb_(5).We start with the unconventional charge density waves,which are thought to correlate to the time-reversal symmetry-breaking orders and the unconventional anomalous Hall effects in AV_(3)Sb_(5).Then we discuss the superconductivity and the topological band structure.Next,we review the competition between the superconductivity and charge density waves under different conditions of pressure,chemical doping,thickness,and strains.Finally,the experimental evidence of pseudogap pair density wave is discussed.

Charge density wave states in phase-engineered monolayer VTe_(2)

Charge density wave(CDW)strongly affects the electronic properties of two-dimensional(2D)materials and can be tuned by phase engineering.Among 2D transitional metal dichalcogenides(TMDs),VTe_(2)was predicted to require small energy for its phase transition and shows unexpected CDW states in its T-phase.However,the CDW state of H-VTe_(2)has been barely reported.Here,we investigate the CDW states in monolayer(ML)H-VTe_(2),induced by phase-engineering from T-phase VTe_(2).The phase transition between T-and H-VTe_(2)is revealed with x-ray photoelectron spectroscopy(XPS)and scanning transmission electron microscopy(STEM)measurements.For H-VTe_(2),scanning tunneling microscope(STM)and low-energy electron diffraction(LEED)results show a robust 2√3×2√3CDW superlattice with a transition temperature above 450 K.Our findings provide a promising way for manipulating the CDWs in 2D materials and show great potential in its application of nanoelectronics.

Determination of electrostatic parameters of a coumarin derivative compound C_(17)H_(13)NO_3 by x-ray and density functional theory

This work is devoted to the experimental determination of the electrostatic properties of the molecular 4-methyl-7-（salicylidene amino） coumarin（C17H13NC3） using high resolution x-ray diffraction data. The experimental results are compared with those obtained theoretically from calculation type ab initio. The experimental investigation is carried out using the molecular electron charge density distribution based on the multipolar model of Hansen and Coppens. However the theoretical calculations are conducted by using the molecular orbital B3 LYP method and the Hartree-Fock（HF） approximation with the basis set 6-31G（d,p） implemented in the Gaussian program. In addition to the structural analysis,the thermal agitation is also analyzed in terms of rigid blocks to ensure a better precision of the results. Subsequently, the electrostatic atomic and molecular properties such as the net charges, the molecular dipolar moment to highlight the nature of charge transfer existing within the molecule studied are derived. Moreover, the obtained electrostatic potential enables the localization of the electropositive and the electronegative parts of the investigated molecule. The present work reports in detail the obtained electrostatic properties of this biologically important molecule.

Observation of multiple charge density wave phases in epitaxial monolayer 1T-VSe_(2) film

As a special order of electronic correlation induced by spatial modulation, the charge density wave(CDW) phenomena in condensed matters attract enormous research interests. Here, using scanning-tunneling microscopy in various temperatures, we discover a hidden incommensurate stripe-like CDW order besides the(■) CDW phase at low-temperature of 4 K in the epitaxial monolayer 1T-VSe_(2) film. Combining the variable-temperature angle-resolved photoemission spectroscopic(ARPES) measurements, we discover a two-step transition of an anisotropic CDW gap structure that consists of two parts △_(1) and△_(2). The gap part ?1 that closes around ~ 150 K is accompanied with the vanish of the(√7×√3) CDW phase. While another momentum-dependent gap part △_(2) can survive up to ~ 340 K, and is suggested to the result of the incommensurate CDW phase. This two-step transition with anisotropic gap opening and the resulted evolution in ARPES spectra are corroborated by our theoretical calculation based on a phenomenological form for the self-energy containing a two-gap structure △_(1) +△_(2), which suggests different forming mechanisms between the(√7×√3) and the incommensurate CDW phases. Our findings provide significant information and deep understandings on the CDW phases in monolayer 1T-VSe_(2) film as a two-dimensional(2D) material.

Tunable charge density wave in TiS3 nanoribbons

Recently, modifications of charge density wave（CDW） in two-dimensional（2D） show intriguing properties in quasi-2D materials such as layered transition metal dichalcogenides（TMDCs）. Optical, electrical transport measurements and scanning tunneling microscopy uncover the enormous difference on the many-body states when the thickness is reduced down to monolayer. However, the CDW in quasi-one-dimensional（1D） materials like transition metal trichalcogenides（TMTCs） is yet to be explored in low dimension whose mechanism is likely distinct from their quasi-2D counterparts.Here, we report a systematic study on the CDW properties of titanium trisulfide（TiS3）. Two phase transition temperatures were observed to decrease from 53 K（103 K） to 46 K（85 K） for the bulk and 〈 15-nm thick nanoribbon, respectively,which arises from the increased fluctuation effect across the chain in the nanoribbon structure, thereby destroying the CDW coherence. It also suggests a strong anisotropy of CDW states in quasi-1D TMTCs which is different from that in TMDCs.Remarkably, by using back gate of-30 V ～ 70 V in 15-nm device, we can tune the second transition temperature from110 K（at-30 V） to 93 K（at 70 V） owing to the altered electron concentration. Finally, the optical approach through the impinging of laser beams on the sample surface is exploited to manipulate the CDW transition, where the melting of the CDW states shows a strong dependence on the excitation energy. Our results demonstrate TiS3 as a promising quasi-1D CDW material and open up a new window for the study of collective phases in TMTCs.

Quasiparticle density of states of 2H-NbSe_2 single crystals revealed by low-temperature specific heat measurements according to a two-component model

Low-temperature specific heat in a dichalcogenide superconductor 2H-NbSe2 is measured in various magnetic fields. It is found that the specific heat can be described very well by a simple model concerning two components corresponding to vortex normal core and ambient superconducting region, separately. For calculating the specific heat outside the vortex core region, we use the Bardeen-Cooper Schrieffer （BCS） formalism under the assumption of a narrow distribution of the superconducting gaps. The field-dependent vortex core size in the mixed state of 2H-NbSe2, determined by using this model, can explain the nonlinear field dependence of specific heat coefficient γ（H）, which is in good agreement with the previous experimental results and more formal calculations. With the high-temperature specific heat data, we can find that, in the multi-band superconductor 2H-NbSe2, the recovered density of states （or Fermi surface） below Tc under a magnetic field seems not to be gapped again by the charge density wave （CDW） gap, which suggests that the superconducting gap and the CDW gap may open on different Fermi surface sheets.

Structural and electrical transport properties of charge density wave material LaAgSb_(2)under high pressure

Layered lanthanum silver antimonide LaAgSb_(2)exhibits both charge density wave(CDW)order and Dirac-cone-like band structure at ambient pressure.Here,we systematically investigate the pressure evolution of structural and electronic properties of LaAgSb_(2)single crystal.We show that the CDW order is destabilized under compression,as evidenced by the gradual suppression of magnetoresistance.At P_(C)~22 GPa,synchrotron x-ray diffraction and Raman scattering measurements reveal a structural modification at room-temperature.Meanwhile,the sign change of the Hall coefficient is observed at 5 K.Our results demonstrate the tunability of CDW order in the pressurized LaAgSb_(2)single crystal,which can be helpful for its potential applications in the next-generation devices.

Effect of strain on charge density wave order inα-U

The effect of strain on charge density wave(CDW)order inα-U is investigated within the framework of relativistic density-functional theory.The energetical stability ofα-U with CDW distortion is enhanced by the tensile strain along a and b axes,which is similar to the case of negative pressure and normal.However,the tensile strain along c axis suppresses the energetical stability of CDW phase.This abnormal effect could be understood from the emergence of a new onedimensional atomic chain along c axis inα-U.Furthermore,this effect is supported by the calculations of Fermi surface and phonon mode,in which the topological objects and the dynamical instability show opposite behaviors between strains along a/b and c axes.

A density-wave-like transition in the polycrystalline V_(3)Sb_(2) sample with bilayer kagome lattice

Recently,transition-metal-based kagome metals have aroused much research interest as a novel platform to explore exotic topological quantum phenomena.Here we report on the synthesis,structure,and physical properties of a bilayer kagome lattice compound V_(3)Sb_(2).The polycrystalline V_(3)Sb_(2) samples were synthesized by conventional solid-state-reaction method in a sealed quartz tube at temperatures below 850℃.Measurements of magnetic susceptibility and resistivity revealed consistently a density-wave-like transition at Tdw≈160 K with a large thermal hysteresis,even though some sample-dependent behaviors were observed presumably due to the different preparation conditions.Upon cooling through Tdw,no strong anomaly in lattice parameters and no indication of symmetry lowering were detected in powder x-ray diffraction measurements.This transition can be suppressed completely by applying hydrostatic pressures of about 1.8 GPa,around which no sign of superconductivity was observed down to 1.5 K.Specific-heat measurements revealed a relatively large Sommerfeld coefficientγ=18.5 mJ·mol^(-1)·K^(-2),confirming the metallic ground state with moderate electronic correlations.Density functional theory calculations indicate that V_(3)Sb_(2) shows a non-trivial topological crystalline property.Thus,our study makes V_(3)Sb_(2) a new candidate of metallic kagome compound to study the interplay between density-wave-order,nontrivial band topology,and possible superconductivity.

A STUDY ON THE INTERACTION BETWEEN CH_3OH AND H_2CO MOLECULES IN TERMS OF THE PROPERTIES OF CHARGE DENSITY DISTRIBUTIONS

Two possible complexes formed by the interaction of CH_3OH and H_2CO,one hydrogen-bonded (Ⅰ)and one donor-acceptor complex(Ⅱ),have been reported in the previous paper.Based on the ab initio 6-31G basis set calculations,the properties of the charge density for the complexeshave been analyzed using the theory of atoms in molecules.The nature of the complex formation has been discussed in terms of the properties of the charge density distributions.

A simple method of extracting the polarization charge density in the AlGaN/GaN heterostructure from current-voltage and capacitance-voltage characteristics

An Ni Schottky contact on the A1GaN/GaN heterostructure is fabricated. The flat-band voltage for the Schottky contact on the A1GaN/GaN heterostructure is obtained from the forward current-voltage characteristics. With the measured capacitance-voltage curve and the flat-band voltage, the polarization charge density in the A1GaN/GaN heterostructure is investigated, and a simple formula for calculating the polarization charge density is obtained and analyzed. With the approach described in this paper, the obtained polarization charge density agrees well with the one calculated by self-consistently solving Schrodinger＇s and Poisson＇s equations.

Competition of Quantum Anomalous Hall States and Charge Density Wave in a Correlated Topological Model

We investigate the topological phase transition driven by non-local electronic correlations in a realistic quantum anomalous Hall model consisting of d_(xy)–d_(x^(2)-y^(2)) orbitals. Three topologically distinct phases defined in the noninteracting limit evolve to different charge density wave phases under correlations. Two conspicuous conclusions were obtained: The topological phase transition does not involve gap-closing and the dynamical fluctuations significantly suppress the charge order favored by the next nearest neighbor interaction. Our study sheds light on the stability of topological phase under electronic correlations, and we demonstrate a positive role played by dynamical fluctuations that is distinct to all previous studies on correlated topological states.