Electronic structure and x-ray magnetic circular dichroism in the Heusler alloy Co2MnGe

Antonov, V. N.; Jepsen, O.; Yaresko, A. N.; Shpak, A. P.

doi:10.1063/1.2234809

Cited by 57 publications

(23 citation statements)

References 51 publications

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“…The details of the computational method are described in our previous papers, [16,17] and here we only mention some aspects specific to the present calculations. The calculations were performed using the spin-polarized fully relativistic linear-muffin-tin-orbital (SPR LMTO) method [18,19] for the experimentally observed lattice constants.…”

Section: Crystal Structure and Computational Detailsmentioning

confidence: 99%

Electronic structure and x-ray magnetic circular dichroism in (Ge,Mn)Te diluted magnetic semiconductors

Antonov¹,

Shpak²,

Bekenov³

et al. 2010

Condens. Matter Phys.

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The electronic structure of the (Ge,Mn)Te diluted magnetic semiconductors was investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band structure method. The electronic structure is obtained with the local spin-density approximation (LSDA) as well as the LSDA+U method. The x-ray magnetic circular dichroism (XMCD) spectra of (Ge,Mn)Te DMSs at the Mn L 2,3 edges are investigated theoretically from first principles. The origin of the XMCD spectra in the compound is examined. The calculated results are compared with available experimental data.

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Section: Crystal Structure and Computational Detailsmentioning

confidence: 99%

Electronic structure and x-ray magnetic circular dichroism in (Ge,Mn)Te diluted magnetic semiconductors

Antonov¹,

Shpak²,

Bekenov³

et al. 2010

Condens. Matter Phys.

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“…The details of the computational method are described in our previous papers, [26][27][28] and here, we only mention some aspects specific to the present calculations. The XAS and XMCD simulations were performed using the spin-polarised fully relativistic linear-muffin-tin-orbital (SPR LMTO) method, 29,30 while the structures were obtained with a projector-augmented wave pseudo-potential method 31 including Hubbard corrections 32 implemented in the VASP code, [33][34][35] which is well known for precise total energy and forces calculations.…”

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confidence: 99%

Advances in methods to obtain and characterise room temperature magnetic ZnO

Lorite

Straube

Ohldag

et al. 2015

Applied Physics Letters

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We report the existence of magnetic order at room temperature in Li-doped ZnO microwires after low energy H+ implantation. The microwires with diameters between 0.3 and 10 μm were prepared by a carbothermal process. We combine spectroscopy techniques to elucidate the influence of the electronic structure and local environment of Zn, O, and Li and their vacancies on the magnetic response. Ferromagnetism at room temperature is obtained only after implanting H+ in Li-doped ZnO. The overall results indicate that low-energy proton implantation is an effective method to produce the necessary amount of stable Zn vacancies near the Li ions to trigger the magnetic order.

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“…The details of the computational method are described in our previous papers [28,29], and here we only mention some aspects specific to the present calculations. The calculations presented in this work were performed using the spinpolarized fully relativistic linear-muffin-tin-orbital (LMTO) method [30][31][32] for the experimentally observed lattice constants [5].…”

Section: Calculation Detailsmentioning

confidence: 99%

Electronic and magnetic properties of the ferromagnetic superconductor UCoGe

Antonov

2017

Low Temperature Physics

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The electronic structure and x-ray magnetic circular dichroism (XMCD) spectra of the ferromagnetic superconductor UCoGe at the U N 4,5 , Ge and Co K and Co L 2,3 edges were investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band structure method. The electronic structure is obtained with the local spin-density approximation (LSDA), as well as with a generalization of the LSDA+U method which takes into account the non-diagonal occupation matrix (in spin indexes) of localized electrons. A stable ferromagnetic ground state was found. The uranium total magnetic moment is quite small (about -0.171µ B ) in the LSDA approximation as a result of almost complete cancellation between the spin magnetic moment of 0.657 µ B and the opposite orbital magnetic moment of -0.828 µ B , resulting from strong spin-orbit coupling at the uranium site. Valency of U ion in UCoGe is close to 3+. The ratio orbital and spin magnetic moments M l /M s ranged from 1.163 in the GGA approach up to 2.456 for the LSDA+U calculations is smaller than the corresponding ratio for the free ion U 3+ value (2.60), it can indicate a significant delocalization of the 5f-electron states due to the hybridization of the U 5f electrons with the conduction band and Co 3d electrons. The line shape of the dichroic spectra at the U M 5 and M 4 edges predicted by considering the magneto-optical selection rules as well as the occupation and the energy sequence of the m j -projected partial densities of states. The theoretically calculated XMCD spectra at the U M 4,5 , Ge and Co K and Co L 2,3 edges are in good agreement with the experimentally measured spectra. PACS

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Electronic structure and x-ray magnetic circular dichroism in the Heusler alloy Co2MnGe

Cited by 57 publications

References 51 publications

Electronic structure and x-ray magnetic circular dichroism in (Ge,Mn)Te diluted magnetic semiconductors

Electronic structure and x-ray magnetic circular dichroism in (Ge,Mn)Te diluted magnetic semiconductors

Advances in methods to obtain and characterise room temperature magnetic ZnO

Electronic and magnetic properties of the ferromagnetic superconductor UCoGe

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