Soni, Swati Dave, Mridula Dalela, B. Alvi, P. A. Kumar, Shalendra Sharma, S. S. Phase, D. M. Gupta, M. Dalela, S.
Published in
Applied Physics A

This work primarily is an investigation of the electronic structure properties of pure CeO2 and Ce1-xGdxO2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Ce}_{1-x}{Gd}...

Pchelkina, Zlata V.
Published in
Journal of Electronic Materials

Here we present a calculation scheme which allows us to obtain the electronic structure and exchange interaction parameters of low-dimensional magnetic compounds with subsequent construction of the spin model and verification of this model by comparing the simulated thermodynamic properties with experimental data. This scheme is implemented to quas...

Li, Y. R. Su, H. L. Liu, H. Y. Luo, H. Z. Dai, X. F. Liu, G. D. Li, Y.
Published in
International Journal of Thermophysics

By combining the first-principles with Monte Carlo method, we investigate the magnetic exchange interactions and the magnetic entropy changes in the vicinity of the second-order transition in Ni2Mn1.4In0.6(R)(R=Si, Ge, Al)\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{a...

Jabar, A. Masrour, R.
Published in
Journal of Cluster Science

The magnetic properties of the triangular lattice with different clusters have been studied using the Monte Carlo simulations. The reduced transitions temperatures are deduced for different size of clusters L and for different exchange interactions. The variation of magnetization with the crystal field is given for different size of clusters and ex...

Sharpe, Ryan Munarriz, Julen Lim, Tingbin Jiao, Yunzhe Niemantsverdriet, J. W. Polo, Victor Gracia, Jose
Published in
Topics in Catalysis

The study of magnetic perovskite oxides has led to novel and very active compounds for O2 generation and other energy applications. Focusing on three different case studies, we summarise the bulk electronic and magnetic properties that initially serve to classify active perovskite catalysts for the oxygen evolution reaction (OER). Ab-initio calcula...

Koulialias, D. Canévet, E. Charilaou, M. Weidler, P. G. Löffler, J. F. Gehring, A. U.

Structural defects on an atomic level can crucially impact the magnetic properties of a material. We study this phenomenon by means of magnetometry and powder neutron diffraction on a stoichiometric, monoclinic pyrrhotite (Fe_{7}S_{8}), which is a classic omission structure with a magnetic anomaly at about 30 K. The initial structural distortion of the p...

Koulialias, D. Canévet, E. Charilaou, M. Weidler, P. G. Löffler, J. F. Gehring, A. U.

Structural defects on an atomic level can crucially impact the magnetic properties of a material. We study this phenomenon by means of magnetometry and powder neutron diffraction on a stoichiometric, monoclinic pyrrhotite (Fe_{7}S_{8}), which is a classic omission structure with a magnetic anomaly at about 30 K. The initial structural distortion of the p...

Koulialias, D. Canévet, E. Charilaou, M. Weidler, P. G. Löffler, J. F. Gehring, A. U.

Structural defects on an atomic level can crucially impact the magnetic properties of a material. We study this phenomenon by means of magnetometry and powder neutron diffraction on a stoichiometric, monoclinic pyrrhotite (Fe_{7}S_{8}), which is a classic omission structure with a magnetic anomaly at about 30 K. The initial structural distortion of the p...

Koulialias, D. Canévet, E. Charilaou, M. Weidler, P. G. Löffler, J. F. Gehring, A. U.

Structural defects on an atomic level can crucially impact the magnetic properties of a material. We study this phenomenon by means of magnetometry and powder neutron diffraction on a stoichiometric, monoclinic pyrrhotite (Fe_{7}S_{8}), which is a classic omission structure with a magnetic anomaly at about 30 K. The initial structural distortion of the p...

Koulialias, D. Canévet, E. Charilaou, M. Weidler, P. G. Löffler, J. F. Gehring, A. U.

Structural defects on an atomic level can crucially impact the magnetic properties of a material. We study this phenomenon by means of magnetometry and powder neutron diffraction on a stoichiometric, monoclinic pyrrhotite (Fe_{7}S_{8}), which is a classic omission structure with a magnetic anomaly at about 30 K. The initial structural distortion of the p...