منابع مشابه
Prediction of stable insulating intermetallic compounds
We explore the stability of structure exhibiting hybridization gaps across a broad range of binary and ternary intermetallic compositions by means of band structure and total energy calculations. This search reveals previously unknown metal-based insulators, some with large gaps exceeding 1 eV, such as Al2Fe and Al4IrRe. We confirm large gaps using a hybrid density functional including exact ex...
متن کاملDriving magnetostructural transitions in layered intermetallic compounds.
We report the dramatic effect of applied pressure and magnetic field on the layered intermetallic compound Pr(0.5)Y(0.5)Mn(2)Ge(2). In the absence of pressure or magnetic field this compound displays interplanar ferromagnetism at room temperature and undergoes an isostructural first order magnetic transition (FOMT) to an antiferromagnetic state below 158 K, followed by another FOMT at 50 K due ...
متن کاملQuadrupole Interactions in Rare-earth Intermetallic Compounds
A survey of the role played by the one-ion magnetoelastic and two-ion quadrupolar interactions on the magnetic and elastic properties of the rare-earth intermetallic compounds is given. These couplings are present in numerous systems and manifest themselves through a great variety of effects. The study of the multipolar interactions concerning the 4f shell has known a great development about ra...
متن کاملIntermetallic REPtZn Compounds with TiNiSi-type Structure
The equiatomic rare earth compounds REPtZn (RE = Y, Pr, Nd, Gd–Tm) were synthesized from the elements in sealed tantalum tubes by high-frequency melting at 1500 K followed by annealing at 1120 K and quenching. The samples were characterized by powder X-ray diffraction. The structures of four crystals were refined from single-crystal diffractometer data: TiNiSi type, Pnma, a = 707.1(1), b = 430....
متن کاملNUMERICAL SIMULATION OF COMBUSTION SYNTHESIS OF ALUMINIDE INTERMETALLIC COMPOUNDS
Combustion synthesis is a special thermophysico-chemical process applied for production of intermetallic compounds. In the present work, a reaction–diffusion numerical model was developed to analyze the combustion synthesis of aluminide intermetallics by self-propagating high-temperature synthesis process. In order to verify the reliability of the numerical model, an experimental setup was desi...
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ژورنال
عنوان ژورنال: International Journal of Computer Science, Engineering and Applications
سال: 2014
ISSN: 2231-0088,2230-9616
DOI: 10.5121/ijcsea.2014.4304