4.5 Article

Electronic and magnetic properties of bulk and surfaces half-Heusler alloy KCaB and its bulk thermoelectric properties

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

DFT and TDDFT studies of the new inorganic perovskite CsPbI3 for solar cell applications

S. Idrissi et al.

Summary: The paper uses the DFT and TDDFT to study the properties of CsPbI3 material, focusing on the effect of spin orbit coupling on its performance, showing that the band gap energy value of the compound decreases with the addition of SOC correction.

CHEMICAL PHYSICS LETTERS (2021)

Article Physics, Applied

Half-Metallicity and Magnetism in the Full Heusler Alloy Fe2MnSn with L21 and XA Stability Ordering Phases

S. Idrissi et al.

Summary: This paper investigates the ab initio method and Monte Carlo simulations of the Fe2MnSn full Heusler alloy for both the XA and L2(1) structures, revealing half-metallic behavior and 100% spin polarization in the XA phase. By studying the magnetization behavior with Monte Carlo simulations at different temperatures and exchange coupling interactions, this study provides insight into the critical magnetic behavior of the alloy. Comparisons with experimental values in literature further validate the findings presented in this comprehensive analysis.

JOURNAL OF LOW TEMPERATURE PHYSICS (2021)

Article Engineering, Electrical & Electronic

Band gaps of the solar perovskites photovoltaic CsXCl3 (X=Sn, Pb or Ge)

S. Idrissi et al.

Summary: In this study, the structural and electronic properties of solar perovskite photovoltaic CsXCl3 (X = Sn, Pb or Ge) were investigated using ab-initio calculations, revealing non-magnetic and semiconductor behaviors. The band gap of these materials was found to increase with lattice parameter 'a' and differ among CsSnCl3, CsPbCl3, and CsGeCl3. Additionally, the spin orbit coupling (SOC) effect was shown to decrease the band gap energy values of the studied solar perovskite materials.

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2021)

Article Physics, Condensed Matter

A DFT study of the equiatomic quaternary Heusler alloys ZnCdXMn (X=Pd

S. Idrissi et al.

Summary: This study investigates the structural, electronic, and magnetic properties of quaternary Heusler alloys ZnCdXMn (X = Pd, Ni, or Pt) using first-principle calculations to improve their competitiveness in magnetic and electronic properties. These alloys exhibit 100% SP polarization and are important for spintronic devices.

SOLID STATE COMMUNICATIONS (2021)

Article Materials Science, Multidisciplinary

A Monte Carlo study of the yttrium-based Heusler alloys: Y2CrGa and YFeCrGa

Samira Idrissi et al.

Summary: The authors of this study used Monte Carlo simulations under the Metropolis algorithm to investigate the magnetic properties of the yttrium-based Heusler alloys Y2CrGa and YFeCrGa. They discussed the ground-state phase diagrams and critical temperature variations of the compounds, concluding that the critical temperature increases with a reduced crystal field. Additionally, hysteresis cycles of the alloys were elaborated by the authors to complete the study.

MULTIDISCIPLINE MODELING IN MATERIALS AND STRUCTURES (2021)

Article Materials Science, Multidisciplinary

Investigation of the physical properties of the equiatomic quaternary Heusler alloy CoYCrZ (Z = Si and Ge): a DFT study

S. Idrissi et al.

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2020)

Article Physics, Condensed Matter

Electronic structure and magnetic properties of the (001), (111) and (110) surfaces of ScC with zinc blende structure

Jabbar M. Khalaf Al-zyadi et al.

SOLID STATE COMMUNICATIONS (2020)

Article Physics, Applied

Structural, Electronic, Magnetic, and Optical Properties of Half-Heusler Alloys RuMnZ (Z = P, As): a First-Principle Study

Nasir Mehmood et al.

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM (2018)

Article Physics, Applied

Ab Initio Study of Half-Heusler Compounds MnVZ (Z = P, As, Sb)

Rashid Ahmad et al.

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM (2018)

Article Materials Science, Multidisciplinary

Half-metallicity of (001), (110) and (111) surfaces of zinc-blende MnBi and their interfaces with HgTe: A first-principle investigation

Jabbar M. Khalaf Al-zyadi et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2018)

Editorial Material Physics, Multidisciplinary

Structural, electronic, magnetic and vibrational properties of half-Heusler NaZrZ (Z = P, As, Sb) compounds Discussion

Mahmood Moradi et al.

PHYSICS LETTERS A (2018)

Article Materials Science, Multidisciplinary

Deorbitalized meta-GGA exchange-correlation functionals in solids

Daniel Mejia-Rodriguez et al.

PHYSICAL REVIEW B (2018)

Article Materials Science, Multidisciplinary

Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP

Jabbar M. Khalaf Al-zyadi et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2016)

Article Chemistry, Multidisciplinary

First principle study of structural, electronic and magnetic properties of half-Heusler IrCrZ (Z=Ge, As, sn and sb) compounds

Marzieh Allaf Behbahani et al.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2016)

Article Materials Science, Multidisciplinary

Structural and electronic properties of half-Heusler alloys PtXBi (with X=Mn, Fe, Co and Ni) calculated from first principles

Wenchao Huang et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2015)

Article Materials Science, Multidisciplinary

Stabilizing and increasing the magnetic moment of half-metals: The role of Li in half-Heusler LiMnZ (Z=N, P, Si)

L. Damewood et al.

PHYSICAL REVIEW B (2015)

Article Materials Science, Multidisciplinary

Ab-initio investigation of half-metallic ferromagnetism in half-Heusler compounds XYZ (X = Li, Na, K and Rb; Y = Mg, Ca, Sr and Ba; Z = B, Al and Ga)

R. Umamaheswari et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2014)

Article Materials Science, Multidisciplinary

The half-metallic characteristics of the (001) surface of zinc-blende TiTe

Jabbar M. Khalaf Al-zyadi et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2013)

Article Materials Science, Multidisciplinary

First-principle study of half-metallicity at the TiPo (001) surface and the TiPo/CdTe (001) interface

Jabbar M. Khalaf Al-zyadi et al.

THIN SOLID FILMS (2013)

Proceedings Paper Physics, Applied

Half Metallic Ferromagnetism in ACaB (A = Li, Na and K) Compounds - DFT Study

R. Umamaheswari et al.

SOLID STATE PHYSICS, VOL 57 (2013)

Article Computer Science, Interdisciplinary Applications

BoltzTraP. A code for calculating band-structure dependent quantities

Georg K. H. Madsen et al.

COMPUTER PHYSICS COMMUNICATIONS (2006)

Article Materials Science, Multidisciplinary

Ferromagnetism in tetrahedrally coordinated compounds of I/II-V elements: Ab initio calculations

M Sieberer et al.

PHYSICAL REVIEW B (2006)

Review Physics, Multidisciplinary

Spintronics: Fundamentals and applications

I Zutic et al.

REVIEWS OF MODERN PHYSICS (2004)

Article Physics, Condensed Matter

Design of new ferromagnetic materials with high spin moments by first-principles calculation

M Geshi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2004)

Article Physics, Multidisciplinary

Determination of the spin polarization of half-metallic CrO2 by point contact Andreev reflection

Y Ji et al.

PHYSICAL REVIEW LETTERS (2001)