A5021853495- Heusler alloys: electronic and magnetic properties
- Advanced Chemical Physics Studies
- Intermetallics and Advanced Alloy Properties
- Chalcogenide Semiconductor Thin Films
- Boron and Carbon Nanomaterials Research
- Perovskite Materials and Applications
- Surface and Thin Film Phenomena
- Magnetic and transport properties of perovskites and related materials
- MXene and MAX Phase Materials
- ZnO doping and properties
- High-pressure geophysics and materials
- Advanced Thermoelectric Materials and Devices
- Semiconductor materials and interfaces
- Advanced Welding Techniques Analysis
- Semiconductor Quantum Structures and Devices
- Magnetic properties of thin films
- Metal and Thin Film Mechanics
- Copper-based nanomaterials and applications
- Graphene research and applications
- Magnetic Properties and Synthesis of Ferrites
- Electronic and Structural Properties of Oxides
- Thin-Film Transistor Technologies
- Chemical and Physical Properties of Materials
- Atomic and Subatomic Physics Research
- Rare-earth and actinide compounds
Université Djilali de Sidi Bel Abbès
2009-2024
Uppsala University
2005-2008
Material Sciences (United States)
2003
The surface energy $(\ensuremath{\gamma})$ and stress $(\ensuremath{\tau})$ for semi-infinite close-packed surfaces of $4d$ transition metals have been calculated using ab initio total-energy methods. moderate agreement between the present former theoretical data $\ensuremath{\tau}$ indicates high level numerical difficulty associated with such calculations. For most surfaces, unrelaxed values follow typical trend characteristic cohesive in nonmagnetic transition-metal series, whereas...
The high-pressure equation of state and elastic properties solid He $(^{4}\mathrm{He})$ have been calculated using density functional theory formulated in the framework exact muffin-tin orbitals method. theoretical results, obtained within generalized gradient approximation for exchange-correlation functional, are good agreement with experimental data available pressures between $13\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ $32\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. We predict that at...
The purpose of this study is to further understanding the structural, electronic, magnetic properties CdO doped with transition metal (Mn) and non element (N). calculations are performed by developed full-potential augmented plane wave plus local orbitals method within spin density functional theory. As exchange–correlation potential we used generalized gradient approximation (GGA) form. Moreover, electronic structure for our compounds was without oxygen deficiency. We treated ferromagnetic...
Structural, elastic, electronic and magnetic properties of the Nickel-based shape memory alloys (MSMA) Ni2MnSb, Ni2MnSn Ni2MnSb0.5Sn0.5, are investigated using full-potential linearized plane wave plus local orbital method (FP-LAPW+lo). With Perdew-Burke-Ernzerhof (PBE) exchange-correlation, generalized gradient approximation (GGA) is used to describe exchange correlations energy. Equilibrium lattice constant, bulk modulus, its pressure derivative calculated compared with available data....
Abstract The full‐potential linearized augmented plane waves (FP‐LAPW) method within the generalized gradient approximation (GGA) is applied to determine electronic properties of equiatomic alloys B2‐MTi ( M = Fe, Co, Ni). Detailed analysis devoted NiTi austenic, premartensic, and martensic phases. transformation (MT) occurs from austenic B2 (CsCl structure) monoclinic B19' phase upon cooling. Spin‐polarized slab calculations are carried out study FeTi(001), CoTi(001), NiTi(001) surfaces...
Structural, elastic, electronic and magnetic properties of the quaternary Heusler alloys are calculated using full-potential linearized augmented plane wave (FP-LAPW) method in framework density functional theory (DFT) implemented WIEN2k code. The exchange-correlation potential is evaluated generalized gradient approximation (GGA) within Perdew-Burke-Ernzerhof (PBE) parameterization. Our theoretically results provide predictions for mixed which no experimental theoretical data currently...
Ab initio calculations based on the density functional theory are reported for Mn-doped CdSe 5.5% and 12.5% Mn a Cd sublattice. It is found that antiferromagnetic. An essential ingredient to stabilize ferromagnetism in bulk Cd1−xMnxSe can be realized by co-doping of Li. We demonstrate co-doped with Li has stable ferromagnetic ground state we show electronic structure Cd1−2xMnxLixSe nearly metallic character.
We investigate the structural, elastic, electronic and magnetic properties of Heusler compounds Cu2MnSi, Cu2MnAl Cu2MnSi1-xAlx quaternary alloys, using full-potential linear-augmented plane-wave method (FP-LAPW) in framework density functional theory (DFT) generalized gradient approximation Perdew-Burke-Ernzerhof (GGA-PBE). Our results provide predictions for alloy (x = 0.125, 0.25, 0.375, 0.5) which no experimental or theoretical data are currently available. calculate ground state’s alloys...
In this work, we have used the full-potential linearized augmented plane wave (FP-LAPW) method implemented in WIEN2k code combined with generalized gradient approximation (GGA) of density functional theory (DFT) to study structural, elastic, mechanical, electronic, magnetic, and thermodynamic properties parent ternary inverse Heusler compounds based on Titanium Cobalt Ti 2 CoGa, CoCu Hg CuTi-type structure their quaternary alloys CoGa[Formula: see text]Cu x ([Formula: text], 0.5, 0.75) for...
How small can an electronic device be and still function? many atoms are needed for such device? At what point will the semiconductor fabrication technology unable to construct anything smaller? These common questions asked by researchers, answers indicate short-term limitations on use of technology. When we reach these limitations, propose two methods solve problems: first, could continue using technology, alongside development new theories techniques counter quantum effects caused...