First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds

In recent years the intermetallic ternary RE2MgGe2 (RE = rare earth) compounds attract interest in a variety of technological areas. We therefore investigate in the present work the structural, electronic, magnetic, and thermodynamic properties of Nd2MgGe2 and Gd2MgGe2. Spin–orbit coupling is found to play an essential role in realizing the antiferromagnetic ground state observed in experiments. Both materials show metallicity and application of a Debye-Slater model demonstrates low thermal conductivity and little effects of the RE atom on the thermodynamic behavior.

An analysis of luminous mechanism of rare earth hybrid complex with Ce3+ ion by the DV-Xα method

In recent years, rare earth compounds with Ce3+ ion have reported as light-emitting materials due to photoluminescence. But Ce3+ ion luminous mechanism has not yet particularly reported until now on account of disparate ligands. In this report, results of study manifested it would possible make complicated, which coordinated by ligands upon π conjugation. In this study, several fluorescent compounds as well as non-fluorescent compounds have synthesized by solution method, which coordinated by common organic ligands with π conjugation, such as acetylacetonato(acac), oxalate(ox), 2,2′-bipyridine(bpy), 1,10-phenanthroline(phen). It have been made clear about Luminous mechanism by means of experimentation compare to molecular orbital method.

A comparison of methods for the estimation of the enthalpy of formation of rare earth compounds

Rare earth elements are helping drive the global transition towards a greener economy. However, the way in which they are produced is far from being considered green. One of the...

From the Ritter pile to the aluminum ion battery – Peter Paufler’s academic genealogy

This article highlights Peter Paufler’s academic genealogy on the occasion of his 80th birthday. We describe the academic background since 1776, which covers 11 generations of scientists: Ritter, Ørsted, Han-steen, Keilhau, Kjerulf, Brøgger, Goldschmidt, Schulze, Paufler, Meyer, and Leisegang. The biographies of these scientists are described in spotlight character and references to scientists such as Dehlinger, Ewald, Glocker, Röntgen, Vegard, Weiss, and Werner are given. A path is drawn that begins in the Romanticism with electrochemistry and the invention of what is probably the first accumulator. It leads through the industrialization and the modern geology, mineralogy, and crystallography to crystal chemistry, metal and crystal physics and eventually returns to electrochemistry and the aluminum-ion accumulator in the era of the energy transition. The academic genealogy exhibits one path of how crystallography develops and specializes over three centuries and how it contributes to the understanding of the genesis of the Earth and the Universe, the exploration of raw materials, and the development of modern materials and products during the industrialization and for the energy transition today. It is particularly characterized by the fields of physics and magnetism, X-ray analysis, and rare-earth compounds and has strong links to the scientific landscape of Germany (Freiberg) and Scandinavia, especially Norway (Oslo), as well as to Russia (Moscow, Samara, St. Petersburg). The article aims at contributing to the history of science, especially to the development of crystallography, which is the essential part of the structural science proposed by Peter Paufler.