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Register a new userIntrinsic Correlated Electronic Structure of CrO2 Revealed by Hard X-ray Photoemission Spectroscopy
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Bulk-sensitive hard x-ray photoemission spectroscopy (HAXPES) reveals for as-grown epitaxial films of half-metallic ferromagnetic CrO2(100) a pronounced screening feature in the Cr 2p3/2 core level and an asymmetry in the O 1s core level. This gives evidence of a finite, metal-type Fermi edge, which is surprisingly not observed in HAXPES. A spectral weight shift in HAXPES away from the Fermi energy is attributed to single-ion recoil effects due to high energy photoelectrons. In conjunction with inverse PES the intrinsic correlated Mott-Hubbard-type electronic structure is unravelled, yielding an averaged Coulomb correlation energy Uav ~ 3.2 eV.
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We have performed bulk-sensitive spin-resolved photoemission spectroscopy in order to clarify the intrinsic spin-resolved electronic states of half-metallic ferromagnet CrO2. We used CrO2 epitaxial films on TiO2(100), which shows a peak at 1 eV with a clear Fermi edge, consistent with the bulk-sensitive PES spectrum for CrO2. In spin-resolved spectra at 40 K, while the Fermi edge was observed in the spin up (majority spin) state, no states at the Fermi level (EF) with an energy gap of 0.5 eV below EF was observed in the spin down (minority spin) state. At 300 K, the gap in the spin down state closes. These results are consistent with resistivity measurements and magnetic hysteresis curves of the fabricated CrO2 film, constituting spectroscopic evidence for the half-metallicity of CrO2 at low temperature and reducing the spin polarization at room temperature. We also discuss the electron correlation effects of Cr 3d.
GdNi is a ferrimagnetic material with a Curie temperature Tc = 69 K which exhibits a large magnetocaloric effect, making it useful for magnetic refrigerator applications. We investigate the electronic structure of GdNi by carrying out x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) at T = 25 K in the ferrimagnetic phase. We analyze the Gd M$_{4,5}$-edge ($3d$ - $4f$) and Ni L$_{2,3}$-edge ($2p$ - $3d$) spectra using atomic multiplet and cluster model calculations, respectively. The atomic multiplet calculation for Gd M$_{4,5}$-edge XAS indicates that Gd is trivalent in GdNi, consistent with localized $4f$ states. On the other hand, a model cluster calculation for Ni L$_{2,3}$-edge XAS shows that Ni is effectively divalent in GdNi and strongly hybridized with nearest neighbour Gd states, resulting in a $d$-electron count of 8.57. The Gd M$_{4,5}$-edge XMCD spectrum is consistent with a ground state configuration of S = 7/2 and L=0. The Ni L$_{2,3}$-edge XMCD results indicate that the antiferromagnetically aligned Ni moments exhibit a small but finite magnetic moment ( $m_{tot}$ $sim$ 0.12 $mu_B$ ) with the ratio $m_{o}/m_{s}$ $sim$ 0.11. Valence band hard x-ray photoemission spectroscopy shows Ni $3d$ features at the Fermi level, confirming a partially filled $3d$ band, while the Gd $4f$ states are at high binding energies away from the Fermi level. The results indicate that the Ni $3d$ band is not fully occupied and contradicts the charge-transfer model for rare-earth based alloys. The obtained electronic parameters indicate that GdNi is a strongly correlated charge transfer metal with the Ni on-site Coulomb energy being much larger than the effective charge-transfer energy between the Ni $3d$ and Gd $4f$ states.
Electronic properties of V$_2$OPO$_4$ have been investigated by means of hard x-ray photoemission spectroscopy (HAXPES) and subsequent theoretical calculations. The V 1$s$ and 2$p$ HAXPES spectra are consistent with the charge ordering of V$^{2+}$ and V$^{3+}$. The binding energy difference between the V$^{2+}$ and V$^{3+}$ components is unexpectedly large indicating large bonding-antibonding splitting between them in the final states of core level photoemission. The V 1$s$ HAXPES spectrum exhibits a charge transfer satellite which can be analyzed by configuration interaction calculations on a V$_2$O$_9$ cluster. The V 3$d$ spectral weight near the Fermi level is assigned to the 3$d$ $t_{2g}$ orbitals of the V$^{2+}$ site. The broad V 3$d$ spectral distribution is consistent with the strong hybridization between V$^{2+}$ and V$^{3+}$ in the ground state. The core level and valence band HAXPES results indicate substantial charge transfer from the V$^{2+}$ site to the V$^{3+}$ site.7 figure
We have studied the electronic structure of Li$_{1+x}$[Mn$_{0.5}$Ni$_{0.5}$]$_{1-x}$O$_2$ ($x$ = 0.00 and 0.05), one of the promising cathode materials for Li ion battery, by means of x-ray photoemission and absorption spectroscopy. The results show that the valences of Mn and Ni are basically 4+ and 2+, respectively. However, the Mn$^{3+}$ component in the $x$ = 0.00 sample gradually increases with the bulk sensitivity of the experiment, indicating that the Jahn-Teller active Mn$^{3+}$ ions are introduced in the bulk due to the site exchange between Li and Ni. The Mn$^{3+}$ component gets negligibly small in the $x$ = 0.05 sample, which indicates that the excess Li suppresses the site exchange and removes the Jahn-Teller active Mn$^{3+}$.
We show the three-dimensional electronic structure of the Kondo lattice CeIn3 using soft x-ray angle resolved photoemission spectroscopy in the paramagnetic state. For the first time, we have directly observed the three-dimensional topology of the Fermi surface of CeIn3 by photoemission. The Fermi surface has a complicated hole pocket centred at the {Gamma}-Z line and an elliptical electron pocket centred at the R point of the Brillouin zone. Polarization and photon-energy dependent photoemission results both indicate the nearly localized nature of the 4f electrons in CeIn3, consistent with the theoretical prediction by means of the combination of density functional theory and single-site dynamical meanfield theory. Those results illustrate that the f electrons of CeIn3, which is the parent material of CeMIn5 compounds, are closer to the localized description than the layered CeMIn5 compounds.
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