Wyniki wyszukiwania - Biblioteka Nauki

Ten serwis zostanie wyłączony 2025-02-11.

Nowa wersja platformy, zawierająca wyłącznie zasoby pełnotekstowe, jest już dostępna.
Przejdź na https://bibliotekanauki.pl

Ograniczanie wyników

2 Materials Science Poland

Znaleziono wyników: 2

Liczba wyników na stronie

Wyniki wyszukiwania

Sortuj według:

Ogranicz wyniki do:

Investigations of structural, elastic, electronic and thermodynamic properties of lutetium filled skutterudite LuFe4P12 under pressure effect: FP-LMTO method

100%

Boudia K. , Ameri M. , Al-Douri Y. , Ameri I. , Bouafia H.

Materials Science Poland

2015

tom Vol. 33, No. 4

867--878

Structural, elastic, electronic and thermodynamic properties of ternary cubic filled skutterudite compound were calculated. We have computed the elastic modulus and its pressure dependence. From the elastic parameter behavior, it is inferred that this compound is elastically stable and ductile in nature. Through the quasi-harmonic Debye model, in which phononic effects are considered, the effect of pressure P (0 to 50 GPa) and temperature T (0 to 3000 degrees C) on the lattice constant, elastic parameters, bulk modulus B, heat capacity, thermal expansion coefficient alpha, internal energy U, entropy S, Debye temperature theta(D), Helmholtz free energy A, and Gibbs free energy G are investigated.

FP-(L)APW + lo study of mechanical stability and electronic behavior of CoGe in B20 structure

72%

Timaoui M. A. , Bouafia H. , Sahli B. , Hiadsi S. , Abidri B. , Bouaza A. , Akriche A. , Kerroum D.

Materials Science Poland

2017

tom Vol. 35, No. 3

548--559

The aim of this work is a theoretical study of structural, elastic, electronic and thermal properties of CoGe compound in B20 structure using All-electron self-consistent Full Potential Augmented Plane Waves plus local orbital “FP(L)APW + lo” within the framework of Density Functional Theory DFT. GGA-PBEsol is the exchange-correlation potential selected in this work. This choice is motivated by the success of this functional in predicting structural and mechanical properties of solids. The values obtained by the study of structural properties are in very good agreement with those found previously. In this work, the elastic constants have been predicted for the first time and the obtained values confirm the mechanical stability of the CoGe compound in its B20 structure. The electronic part of this work shows that CoGe has metallic behavior with a mixed bonding between cobalt and germanium of covalent-metallic type. The effect of temperature and hydrostatic pressure on the lattice parameter - a0, heat capacity at constant volume - CV, thermal expansion coefficient - α and entropy - S of the CoGe have been studied using Debye model.