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

The Elastic, Electronic and Thermodynamic Properties of a New Cd Based Full Heusler Compounds - A Theoretical Investigation Using DFT Based FP-LMTO Approach

(2019) S. Aouimer et al.   ACTA PHYSICA POLONICA A

Theoretical Studies of the Structural, Electronic and Magnetic Properties of the CoFeCeZ (Z = P, As and Sb) Quaternary Heusler Alloys

(2019) F. N. Gharbi et al.   SPIN

First-principle calculations of structural, electronic and magnetic investigations of Mn 2 RuGe 1-x Sn x quaternary Heusler alloys

(2018) F. Semari et al.   CHINESE JOURNAL OF PHYSICS

IRelast package

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

Structural, magnetic, electronic and mechanical properties of full-Heusler alloys Co 2 YAl (Y = Fe, Ti): First principles calculations with different exchange-correlation potentials

(2018) Belkharroubi Fadila et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Structural, Elastic, Thermodynamic, Electronic, and Magnetic Investigations of Full-Heusler Compound Ag2CeAl: FP-LAPW Method

(2018) Friha Khelfaoui et al.   Journal of Superconductivity and Novel Magnetism

Impact of Nb vacancies and p-type doping of the NbCoSn–NbCoSb half-Heusler thermoelectrics

(2018) Daniella A. Ferluccio et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Half-Metallic Ferrimagnetic Characteristics of Co2YZ (Z = P, As, Sb, and Bi) New Full-Heusler Alloys: a DFT Study

(2017) O. Amrich et al.   Journal of Superconductivity and Novel Magnetism

Investigation of Iron-based double perovskite oxides on the magnetic phase stability, mechanical, electronic and optical properties via first-principles calculation

(2017) H. Rached et al.   MATERIALS CHEMISTRY AND PHYSICS

Computational prediction of high thermoelectric performance in p-type half-Heusler compounds with low band effective mass

(2017) Teng Fang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

First-Principle Investigation of Structural, Electronic and Magnetic Properties in Mn2RhZ (Z = Si, Ge, and Sn) Heusler Alloys

(2016) Djillali Bensaid et al.   Journal of Superconductivity and Novel Magnetism

Electronic and Magnetic Properties of Co2CrGa1−x Si x Heusler Alloys

(2016) I. E. Yahiaoui et al.   Journal of Superconductivity and Novel Magnetism

Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M=Fe, Ru, Os) compounds with first principle calculations

(2016) O.Miloud Abid et al.   SUPERLATTICES AND MICROSTRUCTURES

Structural stability, electronic structure and magnetic properties of the new hypothetical half-metallic ferromagnetic full-Heusler alloy CoNiMnSi

(2016) M.H. Elahmar et al.   MATERIALS SCIENCE-POLAND

Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

(2016) A. J. Hong et al.   Scientific Reports

Band engineering of high performance p-type FeNbSb based half-Heusler thermoelectric materials for figure of merit zT > 1

(2015) Chenguang Fu et al.   Energy & Environmental Science

Electronic structure and magnetic properties of quaternary Heusler alloys CoRhMnZ (Z = Al, Ga, Ge and Si) via first-principle calculations

(2015) M. Benkabou et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural, mechanical, electronic and magnetic properties of a new series of quaternary Heusler alloys CoFeMnZ (Z=Si, As, Sb): A first-principle study

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

Study of structural, electronic and magnetic properties of CoFeIn and Co 2 FeIn Heusler alloys

(2015) M. El Amine Monir et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Half-Metallic Magnetism of Quaternary Heusler Compounds Co2Fe x Mn1−x Si(x =0,0.5, and 1.0): First-Principles Calculations

(2015) Bennadji Abderrahim et al.   Journal of Superconductivity and Novel Magnetism

First principle investigation of electronic structure and optical behaviors of 2-amino-4-fluorododec-4-encarbolic acid

(2015) A.H. Reshak et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

First principles study of the structural, mechanical, phonon, optical, and thermodynamic properties of half-Heusler (HH) compound NbFeSb

(2015) C Çoban et al.   PHYSICA SCRIPTA

Linear, nonlinear optical susceptibilities, hyperpolarizability, and space electronic charge density of meso silver(I) histidinate [Ag(D-his)]n (Hhis=histidine)

(2015) Saleem Ayaz Khan et al.   POLYHEDRON

Ab initio study of the structural and optoelectronic properties of the half-Heusler CoCrZ (Z = Al, Ga)

(2014) A. Missoum et al.   CANADIAN JOURNAL OF PHYSICS

Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compound

(2014) Saleem Ayaz Khan et al.   COMPUTATIONAL MATERIALS SCIENCE

NbFeSb-based p-type half-Heuslers for power generation applications

(2014) Giri Joshi et al.   Energy & Environmental Science

Linear and nonlinear optical properties for AA and AB stacking of carbon nitride polymorph (C3N4)

(2014) A. H. Reshak et al.   RSC Advances

First-principles study of structural stabilities, elastic and electronic properties of transition metal monocarbides (TMCs) and mononitrides (TMNs)

(2013) H. Rached et al.   MATERIALS CHEMISTRY AND PHYSICS

Structural and optoelectronic properties of NiTiX and CoVX (X=Sb and Sn) half-Heusler compounds: An ab initio study

(2012) M. Ameri et al.   OPTIK

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