Khaled Dine

University of Dr moulay taher, Electronics, Faculty Member

Followers

35,859

Following

Public Views

I am an Algerian scientist in the field of computational materials science , using an ab initio methods to study the structural, electronic, magnetic, optical and thermoelectric properties, in the frame of density functional theory. These calculations are done with some codes like Wien2k, BoltzTraP, etc.

less

Estela Blaisten-Barojas

George Mason University

Petra Reinke

University of Virginia

Viorel Chihaia

Institute of Physical Chemistry "Ilie Murgulescu"

Kiran Dasari

University of Illinois at Urbana-Champaign

Dierk Raabe

Max Planck Institute for Iron Research

Pedro de Andres

CSIC (Consejo Superior de Investigaciones Científicas-Spanish National Research Council)

Mustafa Odabasoglu

Pamukkale University

Sergey A Khaibrakhmanov

Saint-Petersburg State University

mahmoud hafiz

Al-Azhar University

Martín A. Rodríguez

Universidad Nacional de San Martin

InterestsView All (11)

Uploads

Papers by Khaled Dine

Design and implementation of a medical platform for real-time and remote ECG monitoring using DigiMesh wireless sensor network technology

Research on Biomedical Engineering, Nov 22, 2023

Theoretical investigations of hardness in hexaborides ReB6 (Re = La, Ce, Nd) compounds and their solid solutions, La1−CexB6 and Nd1−CexB6: A DFT + U + SO study

Computational Materials Science

Spontaneous polarization study in A3+B4+(O2N)7− and A2+B5+(O2N)7− perovskite-type oxynitrides: a first principles investigation

Applied Physics A

Electronic Structure and Magnetic properties of GdFeSi : DFT+U study

The structural, electronic and magnetic properties of the intermetallic compound GdFeSi have been... more The structural, electronic and magnetic properties of the intermetallic compound GdFeSi have been studied using both Local Density Approximation (LDA) and LDA+U within the framework of density functional theory (DFT). At equilibrium, spin polarized calculations with Hubbard approximation were performed and show that GdFeSi shows a typical metallic behavior and carry magnetic moment. The calculated atomic positions, lattice parameters, bulk moduli, electronic structure and magnetic moments agree well with experimental and the unique other theoretical results. Finally, we remarked that the spin-polarization and the Coulomb repulsion potential U play crucially important role in determining the electronic, magnetic and structural properties of this magnetocaloric compound.

Electronic structure and superconductivity of rare-earth pnictides

Physica C: Superconductivity and its Applications, 2019

In this work, we have studied the electronic structure of iron-based superconductors LnFePO (Ln =... more In this work, we have studied the electronic structure of iron-based superconductors LnFePO (Ln = =La, Pr, Nd, Sm and Gd) and their non-superconducting analogue CeFePO using a first principles method through the band structure calculations. Fe 3d electronic bands are at the origin of the fascinating electronic properties of these materials. The height of the pnictogen hPn and the bond angle Fe-Pn-Fe have been calculated and discussed. We have shown that the behavior of Fe-dz2 and Fe-dxy orbitals under the effect of the rare earth element variation is responsible for the increase of the critical temperature in these systems.

Fermi Surfaces of Compensated and Uncompensated Metals: GGA+U +SO Comparative Ab Initio Study

Band structures and Fermi surfaces of RSn 3 (R = Sc, Y, La, Yb, Lu) nonmagnetic intermetallic com... more Band structures and Fermi surfaces of RSn 3 (R = Sc, Y, La, Yb, Lu) nonmagnetic intermetallic compounds have been investigated using the generalized gradient approximation. The spin-orbit coupling (SOC) was included using a full relativistic basis. An attentive study was established on the Fermi region through the band structure with character. The calculations show that the antibond-ing states formed by R − 5d and Sn-5p have an interest role in the superconductivity in RSn 3 systems. GGA+U+SO calculations showed that YbSn 3 is a compensated metal while the rest of the intermetallic compounds RSn 3 (R = Sc, Y, La, and Lu) are uncompensated metals. The Hubbard correction and the spin-orbit coupling are found to be necessary requirements for more understanding of this kind of materials through an accurate description of their electronic structure. > GGA+U +SO calculations were performed on RSn 3 intermetallics. > Band structures and Fermi surfaces show strong dependence on the U parameter and the spin-orbit coupling (SOC). > Fermi surfaces prove that RSn 3 (R = Sc, Y, La, and Lu) are uncompensated metals while YbSn 3 is a compensated compound.

Download