Search Results - "Århammar, Cecilia"

Mesoporous magnesium carbonate for use in powder cosmetics by Bamford, Erik, Grahn, Alexander, Århammar, Cecilia, Ajaxon, Ingrid, Annerén, Cecilia

“…Objective In the present study, we describe the features and functional properties of a new powder cosmetic ingredient, an amorphous mesoporous magnesium…”
Get full text

The R3-carbon allotrope: a pathway towards glassy carbon under high pressure by Jiang, Xue, Århammar, Cecilia, Liu, Peng, Zhao, Jijun, Ahuja, Rajeev

“…Pressure-induced bond type switching and phase transformation in glassy carbon (GC) has been simulated by means of Density Functional Theory (DFT) calculations…”
Get full text

Room temperature ferromagnetism in pristine MgO thin films by Araujo, C. Moyses, Kapilashrami, Mukes, Jun, Xu, Jayakumar, O. D., Nagar, Sandeep, Wu, Yan, Århammar, Cecilia, Johansson, Börje, Belova, Lyubov, Ahuja, Rajeev, Gehring, Gillian A., Rao, K. V.

“…Robust ferromagnetic ordering at, and well above room temperature is observed in pure transparent MgO thin films ( < 170   nm thick) deposited by three…”
Get full text

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)…”
Get full text

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…”
Get full text

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…”
Get full text

[O60] On oxygen content and phase equilibria in the Ti-Al binary system by Rajagopal, Anand, Århammar, Cecilia, Holmström, Erik, Ojha, Rohit, Zhang, Hui, Sahlberg, Martin, Norgren, Susanne

Get full text

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…”
Get full text

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…”
Get full text

Understanding the catalytic effects of H(2)S on CVD-growth of alpha-alumina: Thermodynamic gas-phase simulations and density functional theory by Blomqvist, A., Århammar, Cecilia, Pedersen, H., Silvearv, F., Norgren, S., Ahuja, Rajeev

“…The catalytic effect of H(2)S on the AlCl(3)/H(2)/CO(2)/HCl chemical vapor deposition (CVD) process has been investigated on an atomistic scale. We apply a…”
Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text

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…”
Get full text

Kaolinite: defect states define material properties-a soft x-ray and first principles study of the band gap by Pietzsch, Annette, Nisar, Jawad, Jamstorp, Erik, Gråsjö, Johan, Kennedy, Brian, Hennies, Franz, Arhammar, Cecilia, Ahuja, Rajeev, Rubensson, Jan-Erik

Get full text

Optics of sunscreen lotions: Preliminary results on scattering and absorption coefficients by Niklasson, Gunnar A, Niklasson, Sara L, Notfors, Celina, Wang, Junxin, Stromme, Maria, Arhammar, Cecilia

“…Sunscreen lotions are used to protect the skin from damage due to solar ultraviolet (UV) radiation. The active UV blocking components can be organic molecules…”
Get full text