Search Results - "Mohn, P"

Solid-state electron spin lifetime limited by phononic vacuum modes by Astner, T., Gugler, J., Angerer, A., Wald, S., Putz, S., Mauser, N. J., Trupke, M., Sumiya, H., Onoda, S., Isoya, J., Schmiedmayer, J., Mohn, P., Majer, J.

“…Longitudinal relaxation is the process by which an excited spin ensemble decays into its thermal equilibrium with the environment. In solid-state spin systems,…”
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The electronic and magnetic structure of p-element (C,N) doped rutile-TiO2; a hybrid DFT study by Atanelov, J., Gruber, C., Mohn, P.

“…[Display omitted] •Calculations involving post DFT hybrid functional.•Magnetic structure of C and N impurities in rutile TiO2.•Formation of Interstitial NO CO…”
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Adhesion and material transfer between contacting Al and TiN surfaces from first principles by Feldbauer, G., Wolloch, M., Bedolla, P. O., Mohn, P., Redinger, J., Vernes, A.

“…A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat…”
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Prospect for tunneling anisotropic magneto-resistance in ferrimagnets: Spin-orbit coupling effects in Mn3Ge and Mn3Ga by Khmelevskyi, S., Shick, A. B., Mohn, P.

“…Magnetic anisotropic phenomena in Mn3Ge and Mn3Ga ferrimagnets are studied by first-principles density functional theory calculations. We find a large positive…”
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Ferromagnetism in tetrahedrally coordinated compounds of I/II-V elements: Ab initio calculations by Sieberer, M., Redinger, J., Khmelevskyi, S., Mohn, P.

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Ab initio friction forces on the nanoscale: A density functional theory study of fcc Cu(111) by Wolloch, M., Feldbauer, G., Mohn, P., Redinger, J., Vernes, A.

“…While there are a number of models that tackle the problem of calculating friction forces on the atomic level, providing a completely parameter-free approach…”
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The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study by Atanelov, J., Mohn, P.

“…[Display omitted] •Magnetic structure of O substituted GaFeO3 using C, N and S.•Investigation of different doping sites.•Magnetic interactions discussed in…”
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Ab initio calculation of the real contact area on the atomic scale by Wolloch, M., Feldbauer, G., Mohn, P., Redinger, J., Vernes, A.

“…We present an approach to determine the onset of contact between a tip and a surface. The real contact area depending on the distance is calculated using…”
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Large negative magnetic contribution to the thermal expansion in iron-platinum alloys: quantitative theory of the Invar effect by Khmelevskyi, S, Turek, I, Mohn, P

“…We show that the large negative magnetic contribution to the thermal expansion in disordered Fe-Pt alloys can be understood within the disordered local moment…”
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Covalent magnetism and magnetic impurities by Gruber, C, Bedolla, P O, Mohn, P

“…We use the model of covalent magnetism and its application to magnetic insulators applied to the case of insulating carbon doped BaTiO3. Since the usual Stoner…”
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Magnetism on the surface of the bulk paramagnetic intermetallic compound YCo2 by KHMELEVSKYI, S, MOHN, P, REDINGER, J, WEINERT, M

“…Using full-potential electronic structure calculations, we predict that the (111) surface of the cubic Laves phase Pauli paramagnet YCo2 is ferromagnetic. The…”
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Correlation induced paramagnetic ground state in FeAl by Mohn, P, Persson, C, Blaha, P, Schwarz, K, Novák, P, Eschrig, H

“…Experimentally the intermetallic compound FeAl is known to be nonmagnetic, whereas conventional density functional theory calculations within the local density…”
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Spontaneous volume magnetostriction and non-Stoner behavior of the valence band in pure hcp Gd by KHMELEVSKYI, S, TUREK, I, MOHN, P

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YCo2: intrinsic magnetic surface of a paramagnetic bulk material by Dedkov, Yu S, Laubschat, C, Khmelevskyi, S, Redinger, J, Mohn, P, Weinert, M

“…Here we report on results of a spin-resolved photoelectron spectroscopic (SRPES) study of YCo2 thin films (150 A-thick) grown on a W(110) substrate. The films…”
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Site-preferences and local spin-polarization of transition metal solute atoms in B2 type Ni–Al alloys by Özcan, S., Khmelevska, T., Khmelevskyi, S., Mohn, P.

“…In the framework of the Local Spin Density Approximation we study the electronic structure, site preference energies and magnetism in B2 Ni 50(Al 37.5Ni 12.5)…”
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Defect-Induced Magnetic Structure in ( Ga 1 − x Mn x ) As by Korzhavyi, P. A., Abrikosov, I. A., Smirnova, E. A., Bergqvist, L., Mohn, P., Mathieu, R., Svedlindh, P., Sadowski, J., Isaev, E. I., Vekilov, Yu. Kh, Eriksson, O.

“…We show that magnetic structures involving partial disorder of local magnetic moments on the Mn atoms in (Ga 1-x Mn x )As lower the total energy, compared to…”
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Magnetic and electronic structure of (Ga 1-x Mn x )As by Bergqvist, Lars, Korzhavyi, Pavel A., Sanyal, B., Mirbt, S., Abrikosov, I. A., Nordstrom, L., Smirnova, E. A., Mohn, P., Svedlindh, P., Eriksson, O.

“…We present theoretical calculations of the magnetic and electronic structure of Mn-doped GaAs (in the zinc-blende structure). The magnetic properties are shown…”
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Ab initio investigation of the invar anomaly in ordered fcc Fe-Pt alloys by KHMELEVSKYI, S, RUBAN, A. V, KAKEHASHI, Y, MOHN, P, JOHANSSON, B

“…The magnetovolume anomaly in ordered fcc Fe-Pt Invar alloys is studied by ab inito Korringa-Kohn-Rostoker atomic-sphere approximation technique in the…”
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The γ-Fe4N system revisited : an ab initio calculation study of the magnetic interactions by MOHN, P, MATAR, S. F

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Magnetic instability and meta-magnetism on the surface of the bulk paramagnetic YCo2 intermetallic compound by KHMELEVSKYI, S, MOHN, P, REDINGER, J, WEINERT, M

“…Using full-potential electronic structure calculations, we predict that the (111) surface of the cubic Laves phase Pauli paramagnet YCo2 is ferromagnetic. The…”
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