October 27, 1999
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October 20, 2014
First principles calculations of rare earth (RE)-doped LaSi3N5 host lattice are performed to obtain the electronic structure, the band gap (BG), and the character of electronic transitions. Doping with both trivalent and bivalent RE cations is inspected. RE 4f states form two bands of occupied and unoccupied states separated by ~5 eV. In RE3+-doped compounds 4f states are shifted by ~6 eV to more negative energies compared with RE2+-compounds. This stabilization causes that R...
October 27, 2020
The new-found two-dimensional antiferromagnetic GdTe$_3$ is attractive owing to its highest carrier mobility among all known layered magnetic materials, as well as its potential application for novel magnetic twistronic and spintronic devices. Here, we have used high-resolution angle-resolved photoemission spectroscopy to investigate its Fermi surface topology and low-lying electronic band structure. The Fermi surface is partially gapped by charge density wave below the trans...
May 25, 2015
The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great attention recently, either for the discovery of novel phenomena or some extreme or exotic physical properties, or for their potential applications. PdTe2 is a superconductor in the class of transition metal dichalcogenides, and superconductivity is enhanced in its Cu-...
March 4, 2024
The $d^5$ electron configurations under the crystal field, spin-orbit coupling, and Coulomb interaction give rise to a plethora of profound ground states. Ruthenium perovskite oxides exhibit a number of unconventional properties yet the Ru$^{4+}$ state ($4d^4$) is usually stable in these materials. In this regard, Ru$^{3+}$ ions in perovskite materials are expected to be a mesmerising playground of $4d^5$ electron configurations. Here, we report measurements of x-ray photoemi...
January 6, 2010
We report the electronic structure of the iron-chalcogenide superconductor, Fe1.04(Te0.66Se0.34), obtained with high resolution angle-resolved photoemission spectroscopy and density functional calculations. In photoemission measurements, various photon energies and polarizations are exploited to study the Fermi surface topology and symmetry properties of the bands. The measured band structure and their symmetry characters qualitatively agree with our density function theory c...
April 25, 2022
In this work, the structural, optical, and electronic properties of rare-earth perovskites of the general formula RCrO3, where R represents the rare-earth Gd, Tb, Dy, Ho, Er, and Tm, have been studied in detail. These compounds were synthesized through a facile citrate route. X-ray diffraction, Raman spectroscopy, and UV-Vis spectroscopy were used to reveal the structural evolutions in RCrO3. The lattice parameter, Cr3+-O2--Cr3+ bond angle, and CrO6 octahedral distortions wer...
November 20, 2007
The unoccupied electronic states of LaCoO$_3$ and PrCoO$_3$ are studied using room temperature inverse photoemission spectroscopy and \emph{ab initio} GGA+$\emph{U}$ band structure calculations. A fairly good agreement between experiment and theory is obtained. The intensity of the peak just above the Fermi-level is found to be very much sensitive to the hybridization of Co 3$d$ and O 2$p$ orbitals. Moreover, the band just above the Fermi-level is of Co 3$d$ character with li...
March 4, 2002
The Mn x-ray emission spectra and x-ray photoemission spectra of Mn-based Heusler alloys Co$_2$MnAl, Co$_2$MnSb and La$_{1-x}$Sm$_x$Mn$_2$Si$_2$ compounds (x=0, 0.8) have been measured and discussed in connection with a value local magnetic moment at Mn site. The spectra peculiarities reflect also the localization degree of 3d valence electrons of 3d metals in considered compounds.
June 24, 2008
Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character of Fe 3d electrons. The valence-band spectra are generally consistent with band-structure calculations except for the shifts of Fe 3d-derived peaks toward the Fermi level. From spectra taken in the Fe 3p -> 3d core-absorption region, we have...
February 9, 2018
Here we report the evolution of bulk band structure and surface states in rare earth mono-bismuthides with partially filled f shell. Utilizing synchrotron-based photoemission spectroscopy, we determined the three-dimensional bulk band structure and identified the bulk band inversions near the X points, which, according to the topological theory, could give rise to nontrivial band topology with odd number of gapless topological surface states. Near the surface Gamma bar point,...