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.

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.

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.

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.

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 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.

Promoted surface charge density from interlayer Zn–N_(4) configuration in carbon nitride for enhanced CO_(2) photoreduction

The solar-driven reduction of CO_(2) into valuable products is a promising method to alleviate global environmental problems and energy crises.However,the low surface charge density limits the photocatalytic conversion performance of CO_(2).Herein,a polymeric carbon nitride(PCN)photocatalyst with Zn single atoms(Zn1/CN)was designed and synthesized for CO_(2) photoreduction.The results of the CO_(2) photoreduction studies show that the CO and CH_(4) yields of Zn1/CN increased fivefold,reaching 76.9 and 22.9μmol/(g·h),respectively,in contrast to the unmodified PCN.Ar+plasma-etched X-ray photoelectron spectroscopy and synchrotron radiation-based X-ray absorption fine structure results reveal that Zn single atom is mainly present in the interlayer space of PCN in the Zn–N_(4) configuration.Photoelectrochemical characterizations indicate that the interlayer Zn–N_(4) configuration can amplify light absorption and establish an interlayer charge transfer channel.Light-assisted Kelvin probe force microscopy confirms that more photogenerated electrons are delivered to the catalyst surface through interlayer Zn–N_(4) configuration,which increases its surface charge density.Further,in-situ infrared spectroscopy combined with density functional theory calculation reveals that promoted surface charge density accelerates key intermediates(*COOH)conversion,thus achieving efficient CO_(2) conversion.This work elucidates the role of internal single atoms in catalytic surface reactions,which provides important implications for the design of single-atom catalysts.

Persistence of charge density wave against variation of band structures in V_(x)Ti_(1−x)Se_(2)(x=0–0.1)

Charge density wave(CDW)is a phenomenon that occurs in materials,accompanied by changes in their intrinsic electronic properties.The study of CDW and its modulation in materials holds tremendous significance in materials research,as it provides a unique approach to controlling the electronic properties of materials.TiSe_(2) is a typical layered material with a CDW phase at low temperatures.Through V substitution for Ti in TiSe_(2),we tuned the carrier concentration in V_(x)Ti_(1-x)Se_(2) to study how its electronic structures evolve.Angle-resolved photoemission spectroscopy(ARPES)shows that the band-folding effect is sustained with the doping level up to 10%,indicating the persistence of the CDW phase,even though the band structure is strikingly different from that of the parent compound TiSe_(2).Though CDW can induce the band fold effect with a driving force from the perspective of electronic systems,our studies suggest that this behavior could be maintained by lattice distortion of the CDW phase,even if band structures deviate from the electron-driven CDW scenario.Our work provides a constraint for understanding the CDW mechanism in TiSe_(2),and highlights the role of lattice distortion in the band-folding effect.

Charge density wave order and electron-boson coupling in ternary superconductor Bi_(2)Rh_(3)Se_(2)

The newly discovered ternary chalcogenide superconductor Bi_(2)Rh_(3)Se_(2) has attracted growing attention,which provides an opportunity to explore the interplay between charge density wave(CDW)order and superconductivity.However,whether the phase transition around 240 K can be attributed to the formation of CDW remains controversial.To help resolve the debate,we study the electronic structure of Bi_(2)Rh_(3)Se_(2) by angle-resolved photoemission spectroscopy,focusing on the nature of its high-temperature phase transition around 240 K.Our measurements demonstrate that the phase transition at 240 K is a second-order CDW phase transition.Our results reveal(i)a 2×2 CDW order in Bi_(2)Rh_(3)Se_(2),accompanied by the reconstruction of electronic structure,such as band folding,band splitting,and opening of CDW gaps at and away from the Fermi level;(ii)the existence of electron-boson coupling,which is manifested as an apparent kink and peak-dip-hump structure in dispersion.Our observations thus enable us to shed light on the nature of CDW order and superconductivity in Bi_(2)Rh_(3)Se_(2).

Molecular interactions induced collapse of charge density wave quantum states in 2H tantalum disulfide nanosheets

2H-tantalum disulfide(2H-TaS_(2))is a layered metallic transition metal dichalcogenide(TMD)that has recently been studied from the perspective of new physics phenomena,including simultaneous lattice distortion and charge density modulation known as the charge density wave(CDW)phase.Here we explored the collapse of CDW states in few-layer 2H-TaS_(2)induced by molecular interactions using Raman spectroscopy.Our results indicate that the CDW states disappear in few-layer 2H-TaS_(2)with rhodamine 6G(R6G)adsorbed due to the charge transfer,which is reflected by the change of behaviors of lattice vibrational modes in 2HTaS_(2).We observed the 2-phonon mode that signifies the CDW formation in 2H-TaS_(2),becomes a phonon-hardened mode when R6G molecules are absorbed on its surface.R6G adsorption further induces the breakdown of the Raman polarization selection rule in 2H-TaS_(2),which results in the alteration of the A_(1g)phonon mode polarization state of 2H-TaS_(2).This study can shed light not only on the underlying mechanisms of CDW states but also on controlling the CDW states under a variety of environmental conditions.

Emergence of charge density wave and Ising superconductivity in centrosymmetric monolayer 1T-HfTe_(2)

Understanding and control of many-body collective phenomena such as charge density wave(CDW)and superconductivity in atomically thin crystals remains a hot topic in material science.Here,using first-principles calculations,we find that 1T-HfTe_(2)possessing no CDWs in the bulk form,unexpectedly shows a stable 2×2 CDW order in the monolayer form,which can be attributed to the enhancement of electron–phonon coupling(EPC)in the monolayer.Meanwhile,the CDW induces a metal-to-insulator transition in monolayer 1T-HfTe_(2)through the accompanying lattice distortion.Remarkably,Ising superconductivity with a significantly enhanced in-plane critical field can emerge in centrosymmetric monolayer 1T-HfTe_(2)after the CDW is suppressed by electron doping.The Ising paring is revealed to be protected by the spin–orbital locking without the participation of the inversion symmetry breaking which is a must for conventional 2H-NbSe2-like Ising superconductors.Our results open a new window for designing and controlling novel quantum states in two-dimensional(2D)matter.

Experimental nuclear charge density and theoretical description of theabove-barrier light heavy-ion fusion process

Theoretical modeling of nucleus-nucleus collisions is often based on the nucleus-nucleus potential.One of the advanced methods for constructing this potential is the semi-microscopical double-folding model with M3 YParis NN-forces.Proton and neutron densities are significant components of this model.The correct nucleon density(ND) must reproduce the experimental nuclear charge density(NCD).However,those who deal with modeling the fusion process typically disregard this circumstance.We aim to achieve a good description of both the nuclear charge density and above-barrier fusion cross sections of even-even light nuclei with Z=N.We consider several versions of NDs available in literature and construct our own approximation for the ND of the even-even spherical nuclei^(12)C,^(16)O,and^(40)Ca,abbreviated as FE-density(Fermi+exponential).We carefully compare the NCDs resulting from different versions of NDs with the experimental NCDs.After finding the nucleus-nucleus potential using the double-folding model with the density dependent M3 Y-Paris NN-forces and FE densities,we evaluate the abovebarrier fusion cross sections for five reactions,^(12)C+^(12)C,^(12)C+^(16)O,^(16)O+^(16)O,^(16)O+^(40)Ca,and^(40)Ca+^(40)Ca,and40Ca+40Ca,for which experimental data are available.The cross sections are calculated using two approaches:a) the barrier penetration model and b) the trajectory model with surface friction(TM).To find the transmission coefficients for the TM,the Langevin equations are employed.For all considered reactions,our TM typically reproduces the above-barrier experimental cross sections within 10-15%.The only adjustable parameter of the model,the optimal friction strength KRm,is found to be approximately 90 zs·GeV-1for the light reactions12C+12C,12C+16O,and16O+16O and approximately 15zs·GeV-1for the heavy reactions16O+40Ca and40Ca+40Ca.The latter findings are in reasonable agreement with the systematics found previously.Thus,the FE-recipe allows highly accurate and simultaneous reproduction of both the nuclear charge density and above-barrier fusion cross sections of five reactions involving12C,160,and40Ca nuclei.