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Electron-doped high-Tc FeSe reportedly has a strong electron correlation that is enhanced with doping. It has been noticed that significant electric fields exist inevitably between FeSe and external donors along with electron transfer.…

Strongly Correlated Electrons · Physics 2019-02-04 Young Woo Choi , Hyoung Joon Choi

We use density functional theory (DFT) to investigate the electronic structure and chemical properties of gold nanoparticles. Different structural families of clusters are compared. For up to 60 atoms we optimize structures using DFT-based…

The electronic structure of potassium intercalated picene and coronene films has been studied using photoemission spectroscopy. Picene has additionally been intercalated using sodium. Upon alkali metal addition core level as well as valence…

Superconductivity · Physics 2012-04-03 Benjamin Mahns , Friedrich Roth , Martin Knupfer

The Thomas-Fermi-Dirac (TFD) approximation and an sp3d5s* tight binding method were used to calculate the electronic properties of a delta-doped phosphorus layer in silicon. This self-consistent model improves on the computational…

Mesoscale and Nanoscale Physics · Physics 2014-01-22 Jackson S. Smith , Jared H. Cole , Salvy P. Russo

First-principles density functional theory (DFT) calculations of Lu-H-N compounds reveal low-energy configurations of Fm$\overline{3}$m Lu$_{8}$H$_{23-x}$N structures that exhibit novel electronic properties such as flat bands, sharply…

Materials Science · Physics 2024-02-27 Adam Denchfield , Hyowon Park , Russell J. Hemley

The effect of electron doping on the structural, transport, and magnetic properties of Mn (IV) - rich Ca1-xYxMnO3 (x < 0.2) samples have been investigated using neutron diffraction, neutron depolarization, magnetization and resistivity…

Materials Science · Physics 2016-02-09 Neetika Sharma , A. Das , C. L. Prajapat , Amit Kumar , M. R. Singh

We have used single crystal X-ray diffraction methods to establish the crystal structures of a compound in the Pd-Mn-Si system and in the Pd-Mn-Ge system. The title compounds have structures related to the Fe$_2$P structure type and are…

Materials Science · Physics 2007-06-16 Srinivasa Thimmaiah , Claudia Felser , Ram Seshadri

Topological nodal-line semimetals are characterized by symmetry-protected one-dimensional band-touching lines or loops, which give rise to their peculiar Fermi surfaces at low energies. Furthermore, if time-reversal or inversion symmetry…

Mesoscale and Nanoscale Physics · Physics 2024-01-17 Hamid Rahimpoor , Saeed H. Abedinpour

We investigated chemical pressure effects in electron-doped (e-doped) FeSe by fabricating an electric-double-layer structure with single crystalline FeSe films on LaAlO$_3$ with Se substituted by isovalent Te and S. Our method enables…

Superconductivity · Physics 2021-09-22 N. Shikama , Y. Sakishita , F. Nabeshima , A. Maeda

We systematically investigate the crystal structure of Ba-doped phenanthrene with various Ba doping levels by the first principle calculation method combining with the X-ray diffraction (XRD) spectra simulation. The optimized lattice…

Superconductivity · Physics 2014-12-10 Xun-Wang Yan , Zhongbing Huang , Hai-Qing Lin

Heteroatom doping is an important method for engineering graphene nanoribbons (GNRs) because of its ability to modify electronic properties by introducing extra electrons or vacancies. However, precisely integrating oxygen atoms into the…

It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high $T_{\rm c}$ cuprates. The doping effect, including the electron-hole doping…

Transition metal doping is commonly used for altering the properties of solid-state materials to suit applications in science and technology. Partially filled $d$-shells of transition metal atoms lead to electronic states with diverse…

Effects of electron correlation on the Fermi surface is investigated for the two-dimensional Hubbard model by the quantum Monte Carlo method. At first, an infinitesimal doping from the half filling is focused on and the momentum dependent…

Strongly Correlated Electrons · Physics 2009-11-07 Y. Otsuka , Y. Morita , Y. Hatsugai

The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field…

Self-doping in graphene has been studied by examining single-layer epitaxially grown graphene samples with differing characteristic lateral terrace widths. Low energy electron microscopy was used to gain real-space information about the…

Mesoscale and Nanoscale Physics · Physics 2009-01-15 D. A. Siegel , S. Y. Zhou , F. El Gabaly , A. V. Fedorov , A. K. Schmid , A. Lanzara

We investigated the magnetotransport properties of Fe-doped topological insulator Sb1.96 Fe0.04Te3 single crystals. With doping, the band structure changes significantly and multiple Fermi pockets become evident in the Shubnikov-de Haas…

Materials Science · Physics 2019-05-01 Weiyao Zhao , David Cortie , Lei Chen , Zhi Li , Zengji Yue , Xiaolin Wang

Alkali-metal adsorption on the surface of materials is widely used for in situ surface electron doping, particularly for observing unoccupied band structures by angle-resolved photoemission spectroscopy (ARPES). However, the effects of…

Black phosphorus consists of stacked layers of phosphorene, a two-dimensional semiconductor with promising device characteristics. We report the realization of a widely tunable bandgap in few-layer black phosphorus doped with potassium…

We present an experimental investigation of heavy doping-induced many-body effects such as band gap narrowing(BGN) and Fermi edge singularity(FES) in Al$_x$Ga$_{1-x}$As using photoluminescence(PL) spectroscopy. The band-to-band transition…

Materials Science · Physics 2007-05-23 Subhasis Ghosh , Niladri Sarkar
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