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Weidemann, R.; Gumlich, H.‐E.; Kupsch, M.; Middelmann, H.-U.; Becker, U.

doi:10.1103/physrevb.45.1172

Cited by 97 publications

(38 citation statements)

References 43 publications

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“…Our data on ZnSe show, in comparison with the recent results from Ref. [7], better definition of the VB EDC spectra. This result could be attributed to the different treatment of the sample surfaces.…”

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confidence: 54%

“…In order to contribute to clarify the mechanisms of p-d hybridization in the DMS compounds is interesting to test the models developed for Cd1-x MnxY (Y=Se, Te, S) in the case of other DMS compounds. Very few data are available for the Zn1-xM nxSe samples [6][7][8][9]. In this paper we report the results of resonant photoemission measurements performed on Zn0.9 Mn0 .…”

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confidence: 99%

“…In fact, our samples were scrapped preserving the crystalline structure of the sample surfaces whereas in Ref. [7] the surface was treated by subsequent processes of Ar sputtering and annealing. The latter treatment does not guarantee for the surface crystalline structure even if Auger spectroscopy shows clean and stoichiometric surfaces.…”

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Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn_1-xMn_xSe

et al. 1995

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The angle integrated resonant photoemission measurements of Zn0.9Mn0.1Se have been performed in the photon energy range between 30 eV and 70 eV using synchrotron radiation. The ternary compound valence band photoemission spectra show, in comparison to the ZnSe results, additional structures, whose intensity depends on Mn content. These new features have been assigned to transitions from the Mn 3d states of e symmetry with spin up. The hybridization of the t2 component of the 3d electrons of Mn in the valence band is discussed. PACS numbers: 75.50.Pp, For several years the Mn-doped H-VI semimagnetic semiconductors compounds, well-known also as diluted magnetic semiconductors (DMSs), have attracted considerable attention due to their intere8ting magnetic and semiconducting behaviour such as extremely large Faraday rotation, giant magneto-resistance and large values of the g-factor [1][2][3][4].In Zn1-x Mnx Se [5], up to x < 0.33, the transition metal Mn 2 ± ions replace randomly the Zn cations in the zinc-blende structure of the host ZnSe crystal. The

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confidence: 54%

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Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn_1-xMn_xSe

et al. 1995

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“…The shape of the differential spectrum is similar to that observed in Cd1-xMnxTe [2] and in Ζn1-xΜnxΥ as well as in MnY (Y = S, Se, Te) [6,7]. Similarly to those papers we can assume that the most pronounced maximum at the energy 4.0 eV originates from Mn 3d electrons which do not hybridise with the valence band states.…”

Section: Experimental Conditions and Resultssupporting

confidence: 61%

Contribution of Mn 3d Electrons To the Valence Band of Sn_0.9Mn_0.1te

et al. 1998

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The synchrotron radiation in the energy range between 15 and 70 eV was used to investigate the electronic structure of the crystalline Sn0.9 Mn0.1 Te by means of the resonant photoemission spectroscopy. Fano-type resonance has been observed in the obtained constant initial energy curves with the resonant energy 50.6 eV and antiresonant energy 49.0 eV. The energy distribution curves taken at photon energies close to the Mn 3p-3d transitions allow us to conclude that Mn atoms contribute to the valence band mainly at energies of 4.0 eV and 7.8 eV below the valence band edge.

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“…As found in numerous previous LDA/GGA calculations [57][58][59][60][61][62] the filled Zn-3d shells form a narrow band at 6 eV below the valence band edge. This 3d band is also observed in valence photoemission experiments, but at a larger binding energy of 9 eV [63,64].…”

Section: Electronic Structurementioning

confidence: 64%

Hubbard-Ucorrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS,TiO2, and NiO

Patrick

Thygesen

2016

Phys. Rev. B

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In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic density and noninteracting response function. Here we investigate the effect of including a Hubbard-U term in this single-particle Hamiltonian, to better describe the on-site correlation of 3d electrons in the transition metal compounds ZnS, TiO 2 , and NiO. We find that the RPA lattice constants are essentially independent of U , despite large changes in the underlying electronic structure. We further demonstrate that the non-selfconsistent RPA total energies of these materials have minima at nonzero U . Our RPA calculations find the rutile phase of TiO 2 to be more stable than anatase independent of U , a result which is consistent with experiments and qualitatively different from that found from calculations employing U -corrected (semi)local functionals. However we also find that the +U term cannot be used to correct the RPA's poor description of the heat of formation of NiO.

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Partial density of Mn 3dstates and exchange-splitting changes inZn1−xMn

Cited by 97 publications

References 43 publications

Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn_1-xMn_xSe

Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn_1-xMn_xSe

Contribution of Mn 3d Electrons To the Valence Band of Sn_0.9Mn_0.1te

Hubbard-Ucorrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS,TiO2, and NiO

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Partial density of Mn 3dstates and exchange-splitting changes inZn1−xMn

Cited by 97 publications

References 43 publications

Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn1-xMnxSe

Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn1-xMnxSe

Contribution of Mn 3d Electrons To the Valence Band of Sn0.9Mn0.1te

Hubbard-Ucorrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS,TiO2, and NiO

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Product

Resources

About

Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn_1-xMn_xSe

Synchrotron Radiation Photoemission Studies of Mn 3d States in Zn_1-xMn_xSe

Contribution of Mn 3d Electrons To the Valence Band of Sn_0.9Mn_0.1te