Theoretical Insight into the Stability, Magneto-electronic and Thermoelectric Properties of XCrSb (X: Fe, Ni) Half-Heusler Alloys and Their Superlattices

Prediction of a new quaternary Heusler alloy within a good electrical response at high temperature for spintronics applications: DFT calculations

(2021) Habib Rached   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Investigation of Structural, Elastic, Electronic, Magnetic and Thermoelectric Proprieties for Mn2RhZ (Z = Al, Si and Ge) Full-Heusler Alloys

(2021) Y. Guermit et al.   INTERNATIONAL JOURNAL OF THERMOPHYSICS

Review of high-throughput computational design of Heusler alloys

(2021) Sicong Jiang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The half metallic feature at high temperature of the novel half-Heusler alloys and their [100] oriented layered superlattices: A DFT investigations

(2021) Mohamed Hichem Elahmar et al.   MATERIALS CHEMISTRY AND PHYSICS

Ab-initio prediction of high TC half-metallic ferrimagnetism in Li-based Heusler compounds Mn2LiZ (Z = Si, Ge and Sn)

(2021) Tariq Hadji et al.   Computational Condensed Matter

Investigation of Ruthenium based Full-Heusler compound for thermic, spintronics and thermoelectric applications: DFT computation

(2021) Mokhtar Berrahal et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

WIEN2k: An APW+lo program for calculating the properties of solids

(2020) Peter Blaha et al.   JOURNAL OF CHEMICAL PHYSICS

Rich topological nodal line bulk states together with drum-head-like surface states in NaAlGe with anti-PbFCl type structure

(2020) Xiaotian Wang et al.   Journal of Advanced Research

Investigation of structural, electronic, magnetic and lattice dynamical properties for XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds

(2020) Gokhan Surucu et al.   PHYSICA B-CONDENSED MATTER

Spin gapless semiconductor behavior in d°-d half-Heusler CrSbSr: Potential candidate for spintronic application

(2020) H. Saib et al.   SPIN

Nodal ring spin gapless semiconductor: New member of spintronic materials

(2020) Tie Yang et al.   Journal of Advanced Research

Spin Seebeck effect in bipolar magnetic semiconductor: A case of magnetic MoS2 nanotube

(2020) Guangqian Ding et al.   Journal of Advanced Research

First‐principles calculations to investigate structural stabilities, mechanical and optoelectronic properties of NbCoSn and NbFeSb half‐Heusler compounds

(2020) Tayeb Zerrouki et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Elastic Properties and Elastic Anisotropy of ZrN2 and HfN2

(2019) Jianguo Zhang et al.   ACTA PHYSICA POLONICA A

Investigation of adsorption, dissociation, and diffusion properties of hydrogen on the V (1 0 0) surface and in the bulk: A first-principles calculation

(2019) Jiayao Qin et al.   Journal of Advanced Research

Novel topological nodal lines and exotic drum-head-like surface states in synthesized CsCl-type binary alloy TiOs

(2019) Xiaotian Wang et al.   Journal of Advanced Research

IRelast package

(2018) M. Jamal et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Magneto-electronic, mechanical and thermodynamic properties of full-Heusler alloys Cr 2 GdGe 1-x Sn x

(2018) I. Asfour et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Magnetic Behaviors of 3d Transition Metal-Doped Silicane: a First-Principle Study

(2018) Sake Wang et al.   Journal of Superconductivity and Novel Magnetism

Observation of valence band crossing: the thermoelectric properties of CaZn2Sb2–CaMg2Sb2 solid solution

(2018) Max Wood et al.   Journal of Materials Chemistry A

High Thermoelectric Performance in SnTe–AgSbTe2 Alloys from Lattice Softening, Giant Phonon–Vacancy Scattering, and Valence Band Convergence

(2018) Gangjian Tan et al.   ACS Energy Letters

First-Principle Study of Half-Metallic Ferrimagnet Behavior in Titanium-Based Heusler Alloys Ti2FeZ (Z = Al, Ga, and In)

(2017) M. Drief et al.   Journal of Superconductivity and Novel Magnetism

Prediction of phase transition, mechanical and electronic properties of inverse Heusler compound Y2RuPb, via FP-LMTO method

(2016) M. Labair et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS C

Investigation of electronic structure, magnetic properties and thermal properties of the new half-metallic ferromagnetic full-Heusler alloys Cr 2 GdSi 1−x Ge x : An ab-initio study

(2016) I. Asfour et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Anisotropy in layered half-metallic Heusler alloy superlattices

(2016) Javad G. Azadani et al.   JOURNAL OF APPLIED PHYSICS

ELATE: an open-source online application for analysis and visualization of elastic tensors

(2016) Romain Gaillac et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A first principle study of phase stability, electronic structure and magnetic properties for Co2−xCrxMnAl Heusler alloys

(2015) H. Rached et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Generalized Slater-Pauling rule for the inverse Heusler compounds

(2013) S. Skaftouros et al.   PHYSICAL REVIEW B

Improving the modified Becke-Johnson exchange potential

(2012) David Koller et al.   PHYSICAL REVIEW B

First principles study of the electronic and magnetic properties of semi-Heusler alloys NiXSb (X=Ti, V, Cr and Mn)

(2011) M.P. Ghimire et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Phonon engineering through crystal chemistry

(2011) Eric S. Toberer et al.   JOURNAL OF MATERIALS CHEMISTRY

High Spin Polarization of Ferrimagnetic Half-Heusler Compounds FeCrZ and MnYZ (Y=Mn, Cr; Z=IIIb, IVb, Vb Elements)

(2010) Shinpei Fujii et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

First-Principles Study on the Half-Metallicity of Half-Heusler Alloys: XYZ (X = Mn, Ni; Y = Cr, Mn; Z = As, Sb)

(2009) Li Guan-Nan et al.   CHINESE PHYSICS LETTERS

First-principles calculations of structural, elastic and electronic properties of Ni2MnZ (Z = Al, Ga and In) Heusler alloys

(2009) H. Rached et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Limits to Poisson’s ratio in isotropic materials

(2009) P. H. Mott et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS