Search Results - "Århammar, C."

Unveiling the complex electronic structure of amorphous metal oxides by Århammar, C, Pietzsch, Annette, Bock, Nicolas, Holmström, Erik, Araujo, C. Moyses, Gråsjö, Johan, Zhao, Shuxi, Green, Sara, Peery, T, Hennies, Franz, Amerioun, Shahrad, Föhlisch, Alexander, Schlappa, Justine, Schmitt, Thorsten, Strocov, Vladimir N, Niklasson, Gunnar A, Wallace, Duane C, Rubensson, Jan-Erik, Johansson, Börje, Ahuja, Rajeev

“…Amorphous materials represent a large and important emerging area of material's science. Amorphous oxides are key technological oxides in applications such as…”
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Spectral evidence of spinodal decomposition, phase transformation and molecular nitrogen formation in supersaturated TiAlN films upon annealing by Endrino, J.L., Århammar, C., Gutiérrez, A., Gago, R., Horwat, D., Soriano, L., Fox-Rabinovich, G., Martín y Marero, D., Guo, J., Rubensson, J.-E., Andersson, J.

“…Thermal treatment of supersaturated Ti1−xAlxN films (x≈0.67) with a dominant ternary cubic-phase were performed in the 700–1000°C range. Grazing incidence…”
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Optical gap and native point defects in kaolinite studied by the GGA-PBE, HSE functional, and GW approaches by Nisar, Jawad, Århammar, C., Jämstorp, Erik, Ahuja, Rajeev

“…The electronic structure of kaolinite with and without intrinsic defects has been studied by the Perdew-Burke-Ernzerhof (PBE) and Heyd-Scuseria-Ernzerhof (HSE)…”
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Chemical Interactions Between Cemented Carbide and Difficult-to-Machine Materials by Diffusion Couple Method and Simulations by von Fieandt, L., M’Saoubi, R., Schwind, M., Kaplan, B., Århammar, C., Jansson, B.

“…A simple and efficient diffusion couple method is utilized to study the chemical interactions between cemented carbide cutting tools and difficult-to-machine…”
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Kaolinite: Defect defined material properties – A soft X-ray and first principles study of the band gap by Pietzsch, A., Nisar, J., Jämstorp, E., Gråsjö, J., Århammar, C., Ahuja, R., Rubensson, J.-E.

“…•The respective electronic structure of synthetic and natural kaolinite is compared.•The size of the band gap and thus many important material properties are…”
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Understanding the catalytic effects of H2S on CVD-growth of α-alumina: Thermodynamic gas-phase simulations and density functional theory by Blomqvist, A., Århammar, C., Pedersen, H., Silvearv, F., Norgren, S., Ahuja, R.

“…The catalytic effect of H2S on the AlCl3/H2/CO2/HCl chemical vapor deposition (CVD) process has been investigated on an atomistic scale. We apply a combined…”
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Probing temperature-induced ordering in supersaturated Ti1−xAlxN coatings by electronic structure by Århammar, C., Endrino, J.L., Ramzan, M., Horwat, D., Blomqvist, Andreas, Rubensson, J.-E., Andersson, J., Ahuja, R.

“…The ordering of supersaturated cubic titanium aluminum nitride (c-Ti0.35Al0.65N) coatings is probed from room temperature up to and above the point of spinodal…”
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Tuning magnetic properties of In2O3 by control of intrinsic defects by Huang, L. M, Århammar, C, Araújo, C. Moysés, Silvearv, F, Ahuja, R

“…The electronic structure and magnetic properties of In2O3 with four kinds of intrinsic point defects (O vacancy, In interstitial, O interstitial, and In…”
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Probing temperature-induced ordering in supersaturated Ti-1 (-) xAlxN coatings by electronic structure by Arhammar, C., Endrino, J. L., Ramzan, M., Horwat, David, Blomqvist, Andreas, Rubensson, J. -E., Andersson, J., Ahuja, R.

“…The ordering of supersaturated cubic titanium aluminum nitride (c-Ti0.35Al0.65N) coatings is probed from room temperature up to and above the point of spinodal…”
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A theoretical study of possible point defects incorporated into α-alumina deposited by chemical vapor deposition by Århammar, C., Silvearv, F., Bergman, A., Norgren, S., Pedersen, H., Ahuja, R.

“…The energetics and electronic structure of carbon, chlorine, hydrogen, and sulfur in α-Al 2 O 3 was investigated by first principles and thermodynamical…”
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Energetics of Al doping and intrinsic defects in monoclinic and cubic zirconia: First-principles calculations by Århammar, C., Moysés Araújo, C., Ahuja, Rajeev

“…First-principles theory within the supercell approach has been employed to investigate Al doping and intrinsic defects in monoclinic and cubic zirconia. The…”
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Tuning magnetic properties of In 2 O 3 by control of intrinsic defects by Huang, L. M., Århammar, C., Araújo, C. Moysés, Silvearv, F., Ahuja, R.

“…The electronic structure and magnetic properties of In2O3 with four kinds of intrinsic point defects (O vacancy, In interstitial, O interstitial, and In…”
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Energetics and magnetic properties of V-doped MgO bulk and (001) surface: A GGA, GGA + U , and hybrid density functional study by Århammar, C., Moyses Araujo, C., Rao, K. V., Norgren, Susanne, Johansson, Börje, Ahuja, Rajeev

“…In this work, a first-principles study of the energetic and magnetic properties of V-doped MgO is presented, where both the bulk and (001) surface were…”
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Energetics and magnetic properties of V-doped MgO bulk and (001) surface: A GGA, GGA plus U, and hybrid density functional study by Århammar, Cecilia, Araujo, C. Moyses, Rao, K. V., Norgren, Susanne, Johansson, Börje, Ahuja, Rajeev

“…In this work, a first-principles study of the energetic and magnetic properties of V-doped MgO is presented, where both the bulk and (001) surface were…”
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Spectral evidence of spinodal decomposition, phase transformation and molecular nitrogen formation in supersaturated TiAIN films upon annealing by ENDRINO, J. L, ARHAMMAR, C, ANDERSSON, J, GUTIERREZ, A, GAGO, R, HORWAT, D, SORIANO, L, FOX-RABINOVICH, G, MARTIN Y MARERO, D, GUO, J, RUBENSSON, J.-E

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