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studied with angle-resolved photoemission spectroscopy
摘要： We study the band structure of twinned and detwinned BaFe2As2 using angle-resolved photoemission spectroscopy. The combination of measurements in the ordered and normal states along four high-symmetry momentum directions (Γ/Z-X/Y) enables us to identify the complex reconstructed band structure in the ordered state in great detail. We clearly observe the nematic splitting of the dxz and dyz orbitals as well as folding due to magnetic order with a wave vector of (π, π, π). We are able to assign all observed bands. In particular we suggest an assignment of the electron bands different from previous reports. The high-quality spectra allow us to achieve a comprehensive understanding of the band structure of BaFe2As2.
关键词： band structure,BaFe2As2,angle-resolved photoemission spectroscopy,magnetic order,nematic splitting
更新于2025-09-23 15:23:52
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Energy disorder and energy level alignment between host and dopant in organic semiconductors
摘要： Energy level alignment between host and dopant molecules plays a critical role in exciton formation and harvesting in light emission zone of organic light-emitting diodes. Understanding the mechanism for predicting energy level alignment is thus important in materials selection for fabricating high-performance organic light-emitting devices. Here we show that host-dopant energy level alignment strongly depends on film thickness and substrate work function by using X-ray and ultraviolet photoemission spectroscopy. Invariant Gaussian density of states fails to explain the experimental data. We speculate that energy disorder in molecules next to the surface dictates the alignment. Ultraviolet photoemission spectroscopy measurements of several archetypical organic semiconductors confirm our speculation. An empirical interface disorder function is derived and used to construct a functional Gaussian density of states to compute host energy levels. Host-dopant energy level alignment is then computed by applying the universal energy alignment rule and is found in excellent agreement with the experimental data.
关键词： Host-dopant systems,Organic semiconductors,Energy level alignment,Photoemission spectroscopy,Energy disorder
更新于2025-09-23 15:23:52
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Doping modulation of quasi-free-standing monolayer graphene formed on SiC(0001) through Sn1-Ge intercalation
摘要： In order to modulate the transfer doping of quasi-free-standing monolayer graphene (QFMLG) formed on SiC(0001), Ge atoms were intercalated additionally into QFMLG already formed by Sn intercalation between ZL and 6H-SiC(0001). By postannealing the Ge-deposited surface at 600 °C, the Sn1-xGex film with the 4 × √3 structure, composed of a bilayer and adatoms with dangling bonds under QFMLG, has been formed. It turns out that, in this Sn1-xGex film, Ge atoms preferentially occupy the bottom layer bound to the top Si atoms of the substrate, while Sn atoms occupy the top adatom sites. Strong correlation among the electrons localized at these adatom sites induces a semiconducting alloy film. As the postannealing temperature is increased up to 800 °C, the concentration of Ge in the intercalated film of the same 4 × √3 structure is gradually increased and the Dirac point also shifts gradually from ?0.16 eV to +0.20 eV relative to the Fermi level. Such a result confirms that the transfer doping of QFMLG on SiC(0001) has been modulated by varying the alloy composition of the Sn1-xGex interfacial film.
关键词： Scanning tunneling microscopy,Quasi-free-standing graphene,SnGe alloy intercalation,Hubbard band,Doping modulation,Photoemission spectroscopy,SiC(0001)
更新于2025-09-23 15:23:52
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Research on the defect types transformation induced by growth temperature of vertical graphene nanosheets
摘要： The in?uence factors on the defect types in vertical graphene nanosheets (VGNs) are widely researched while few systematic research has been reported on the growth temperature, which should play an important role in the transformation of defects types. In this work, VGNs were grown via plasma enhanced chemical vapor deposition (PECVD) method in the atmosphere of CH4, H2 and Ar. Based on SEM, Raman, XPS, NEXAFS and UPS spectrum analysis, we found that the types of defects in VGNs have clearly transformed from vacancy-like to boundary-like, corresponding to the rising growth temperature. Moreover, NEXAFS suggests that features near 7.7 eV are attributed to boundary-like defects, as well as (cid:1)6.7 eV in UPS, providing an intuitive and half-quantitative direction to characterize boundary-like defects in VGNs. Additionally, the sheet resistance (from 1386 to 175 Ohm/Sq) and the wetting angle (from 148(cid:3) to 121(cid:3)) decrease as the temperature rises. It shows that changing the growth temperature, as the easy and effective method, is crucial of modulating the properties of VGNs owning to the transition of defects types from vacancy-like to boundary-like.
关键词： Vertical graphene nanosheets,Near-edge X-ray absorption ?ne structure,Defects type,Ultraviolet photoemission spectroscopy,Modulate properties
更新于2025-09-23 15:22:29
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Growth and physical properties of Ce(O,F)Sb(S,Se)2 single crystals with site-selected chalcogen atoms
摘要： Ce(O,F)Sb(S,Se)2 single crystals were successfully grown using a CsCl/KCl ?ux method. The obtained crystals have a plate-like shape with the typical size of 1–2 mm and well-developed ab-plane, which enables X-ray single crystal structural analysis. The Ce(O,F)Sb(S,Se)2 crystallizes in a monoclinic space group, P21/m, with lattice parameters of a = 4.121(7) ?, b = 4.109(7) ?, c = 13.233(15) ?, β = 97.94(7) °. It is composed of alternate stacking of Ce-(O,F) and Sb-SSe layers, and the Sb-SSe layer includes selective occupation of Se atoms in its in-plane site. The valence state of Ce is estimated to be Ce3+ by X-ray absorption ?ne spectroscopy analysis. The single crystals show an insulating behavior, and a magnetic ordering around 6 K.
关键词： E. Photoemission spectroscopy,B. Flux growth,D. Topological insulator,A. Layered mixed-anion compounds
更新于2025-09-23 15:22:29
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Band bending analysis of charge characteristics at GeO <sub/>2</sub> /Ge interface by x-ray photoemission spectroscopy
摘要： Ge complementary metal oxide semiconductor (CMOS) is promising for scaling beyond the Si CMOS due to its higher carrier mobility than Si. Analogue to classical SiO2/Si system in the Si CMOS technology, various interface/bulk charges including interface traps (Qit), fixed surface state charges (Qf), trapped positive charges (Qpt) and negative charges ((Qnt) in GeO2/Ge system are also crucial both for the device performance and reliability. Because small amounts of charges would cause photoemission peak shift characterized by x-ray photoemission spectroscopy (XPS), it offers a feasible way to evaluate various charge densities by measuring the band bending in Ge substrate from Ge 3d core-level energy shift at GeO2/Ge interface. Moreover, photoemission peak shifts as a function of x-ray irradiation time have been widely accepted for characterization of charge trapping phenomena. Here, we report a band bending analysis at GeO2/Ge interface of featuring vital charge characteristics for diverse device applications by XPS. HF-last cleaned Ge surface was verified to tend to be p-type, irrespective of the bulk conductivity. The n-Ge/GeO2 interfaces exhibit a reduction of upward band bending evolution of Ge substrate, while p-type-Ge/GeO2 interfaces indicate a reduction of downward band bending evolution when comparing the different quality GeO2/Ge interfaces. Based on the requirement of surface charge neutrality, such observation has been attributed to a dominated passivation effect to negatively charged interface traps and the positive fixed surface state charges, respectively. Moreover, a time evolution of Ge 3d and O 1s signals reveals a progressive band bending modification at GeO2/Ge interface, clarifying the thermally-grown GeO2 also contains electron traps (Qnt). Ultimately, the four types of charges relying on the GeO2/Ge quality were modeled to correlate with the observed Ge band bending evolution, which would impact both the device operation and reliability.
关键词： band bending,x-ray photoemission spectroscopy,Ge-based electronics,charge characteristics
更新于2025-09-23 15:22:29
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revealed by angle-resolved photoemission spectroscopy
摘要： We revisit charge density wave (CDW) behavior in the archetypal quasi-one-dimensional (quasi-1D) material NbSe3 by high-resolution angle-resolved photoemission spectroscopy measurements utilizing a microfocused laser with a photon energy of 6.3 eV. We present a detailed view of the electronic structure of this complex multiband system and unambiguously resolve CDW gaps at the Fermi level (EF). By employing a tight-binding model, we argue that these gaps are the result of interband coupling between electronic states that reside predominantly on distinct 1D chains within the material. Two such localized states are found to couple to an electronic state that extends across multiple 1D chains, highlighting the importance of a higher-dimensional interaction in stabilizing the CDW ordering in this material. In addition, the temperature evolution of intrachain gaps caused by the CDW periodicities far below EF deviate from the behavior expected for a Peierls-type mechanism driven by nesting; the upper and lower bands of the renormalized CDW dispersions maintain a fixed peak-to-peak distance while the gaps are gradually removed at higher temperatures. This points toward a gradual loss of long-range phase coherence as the dominant effect in reducing the CDW order parameter, which may correspond to the loss of coherence between the coupled chains. Furthermore, one of the gaps is observed above the bulk and surface CDW transition temperatures, implying the persistence of short-range incoherent CDW order. The influence of such higher-dimensional interactions likely plays an important role in a range of low-dimensional systems.
关键词： angle-resolved photoemission spectroscopy,tight-binding model,charge density wave,phase coherence,interband coupling,quasi-one-dimensional,NbSe3
更新于2025-09-23 15:21:01
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Deuterium Kinetic Isotope Effect in the Photocatalyzed Dissociation of Methanol on TiO2(110)
摘要： Deuterium kinetic isotope effect (KIE) in the photochemistry of methanol on TiO2(110) has been studied to find the rate-determining step (RDS) and understand the reaction mechanism using two-photon photoemission spectroscopy (2PPE). Deuterium substitution of the methyl hydrogen has little effect on the kinetics of this reaction, suggesting that neither the break of the C-H(D) bond nor the transfer of H(D) atoms to the bridging sites is the RDS in the transformation of methanol into formaldehyde. In contrast, the reaction rate of MeOH is ~1.3 times of that of MeOD, suggesting that the cleavage of O-H(D) is the RDS in the photocatalyzed dissociation of methanol on TiO2(110). The results contradict with the common fact that C-H(D) is more difficult to break than O-H(D) based on ground state energetics, implying the involvement of photogenerated charge carriers in the reaction of C-H break whereas the cleavage of O-H is likely a thermal reaction. Difference in the activation energy of O-H and O-D dissociation reaction in the methanol/TiO2(110) system has been calculated based on the KIE measurements. Our work is consistent with the fact that methoxy is photocatalytically more reactive than methanol, and suggests that the conversion of methanol into methoxy is crucial in the photochemistry of methanol on TiO2(110) and probably other metal oxide semiconductor surfaces.
关键词： two-photon photoemission spectroscopy,photocatalyzed dissociation,Deuterium kinetic isotope effect,TiO2(110),methanol
更新于2025-09-23 15:21:01
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A laser-ARPES study of LaNiO <sub/>3</sub> thin films grown by sputter deposition
摘要： Thin films of the correlated transition-metal oxide LaNiO3 undergo a metal–insulator transition when their thickness is reduced to a few unit cells. Here, we use angle-resolved photoemission spectroscopy to study the evolution of the electronic structure across this transition in a series of epitaxial LaNiO3 films of thicknesses ranging from 19 u.c. to 2 u.c. grown in situ by RF magnetron sputtering. Our data show a strong reduction in the electronic mean free path as the thickness is reduced below 5 u.c. This prevents the system from becoming electronically two-dimensional, as confirmed by the largely unchanged Fermi surface seen in our experiments. In the insulating state, we observe a strong suppression of the coherent quasiparticle peak, but no clear gap. These features resemble previous observations of the insulating state of NdNiO3.
关键词： LaNiO3,angle-resolved photoemission spectroscopy,electronic structure,metal–insulator transition,thin films
更新于2025-09-23 15:21:01
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High resolution time- and angle-resolved photoemission spectroscopy with 11 eV laser pulses
摘要： Performing time- and angle-resolved photoemission (tr-ARPES) spectroscopy at high momenta necessitates extreme ultraviolet laser pulses, which are typically produced via high harmonic generation (HHG). Despite recent advances, HHG-based setups still require large pulse energies (from hundreds of μJ to mJ) and their energy resolution is limited to tens of meV. Here, we present a novel 11 eV tr-ARPES setup that generates a flux of 5 × 1010 photons/s and achieves an unprecedented energy resolution of 16 meV. It can be operated at high repetition rates (up to 250 kHz) while using input pulse energies down to 3 μJ. We demonstrate these unique capabilities by simultaneously capturing the energy and momentum resolved dynamics in two well-separated momentum space regions of a charge density wave material ErTe3. This novel setup offers the opportunity to study the non-equilibrium band structure of solids with exceptional energy and time resolutions at high repetition rates.
关键词： energy resolution,time- and angle-resolved photoemission spectroscopy,HHG,tr-ARPES,charge density wave,high repetition rates,high harmonic generation,ErTe3,11 eV laser pulses
更新于2025-09-23 15:19:57