Impact of 5d electrons on half metallic ferromagnetism, and thermoelectric properties of Cs2Z(Cl/Br)6 (Z = Os, Ir) for spintronic applications

First principles study of electronic, optical, and thermoelectric properties of K2Pd (Cl/Br)6 for solar cells and renewable energy

(2022) Q Mahmood et al.   PHYSICA SCRIPTA

The role of 5d electrons spin in quantum ferromagnetism and transport properties of double perovskites Cs2ZCl/Br6 (Z = Ta, W) for spintronic applications

(2021) Thamraa Alshahrani et al.   European Physical Journal Plus

A new lead free double perovskites K2Ti(Cl/Br)6; a promising materials for optoelectronic and transport properties; probed by DFT

(2021) T. Ghrib et al.   MATERIALS CHEMISTRY AND PHYSICS

Exceptionally high open circuit thermoelectric figure of merit in two-dimensional tin sulphide

(2021) Shagun Nag et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study of lead-free double perovskites K2Pt(Cl/Br)6 for optoelectronic and renewable energy applications

(2021) Q. Mahmood et al.   JOURNAL OF SOLID STATE CHEMISTRY

First principle study of half metallic ferromagnetism and transport properties of spinel’s ZnFe2(S/Se)4 for spintronic

(2021) Abeer A AlObaid et al.   PHYSICA SCRIPTA

Analysis of Direct Band Gap A2ScInI6 (A=Rb, Cs) Double Perovskite Halides Using DFT Approach for Renewable Energy Devices

(2021) N.A. Noor et al.   Journal of Materials Research and Technology-JMR&T

Room temperature half metallic ferromagnetism due to Os/Ir(5d) in double perovskites

(2021) Qasim Mahmood et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials

(2020) Tomas Rauch et al.   Journal of Chemical Theory and Computation

Ultralow lattice thermal conductivity and anisotropic thermoelectric performance of AA stacked SnSe bilayer

(2020) Shagun Nag et al.   APPLIED SURFACE SCIENCE

First-principles calculation to investigate half metallic ferromagnetism and thermoelectric properties of Ca0.75Ti0.25X (X = S, Se) alloys

(2020) W. Tanveer et al.   CHEMICAL PHYSICS

Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K 2 OsX 6 (X = Cl, Br) compounds

(2020) Rehan Ullah et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

The significance of anti‐fluorite Cs 2 NbI 6 via its structural, electronic, magnetic, optical and thermoelectric properties

(2020) Rehan Ullah et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Role of 5d orbital of Re in ferromagnetism and thermoelectric characteristics of Cs2ReCl/Br6 double-perovskites: a density functional theory study

(2020) Q. Mahmood et al.   European Physical Journal Plus

Evaluation of thermodynamics and p-type ferromagnetism of C, Si and Ge doped ZnX (X = S, Se and Te) semiconductors

(2019) Irfan Elahi et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Phase Stability and Magnetic Properties of Mn3Z (Z = Al, Ga, In, Tl, Ge, Sn, Pb) Heusler Alloys

(2019) Haopeng Zhang et al.   Applied Sciences-Basel

Structural, electronic and magnetic properties of new full Heusler alloys Rh2CrZ (Z = Al, Ga, In): First-principles calculations

(2019) L. Boumia et al.   CHINESE JOURNAL OF PHYSICS

Origin of p -type half-metallic ferromagnetism in carbon-doped BeS: First-principles characterization

(2018) W. Akbar et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Thermoelectric Bi2Te3−xSex alloys for efficient thermal to electrical energy conversion

(2018) Omer Meroz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Robust large-gap quantum spin Hall insulators in methyl-functionalized III-Bi buckled honeycombs

(2018) Qing Lu et al.   PHYSICAL REVIEW MATERIALS

TiNiSn half-Heusler crystals grown from metallic flux for thermoelectric applications

(2018) Tsvika Zilber et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Systematic first principle study of physical properties of Cd 0.75 Ti 0.25 Z (Z = S, Se,Te) magnetic semiconductors using mBJ functional

(2017) Q. Mahmood et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural, magnetic and electrical properties of a new double-perovskite LaNaMnMoO 6 material

(2017) Sameh Megdiche Borchani et al.   Royal Society Open Science

First-principles study of the double perovskites Sr2XOsO6 (X = Li, Na, Ca) for spintronics applications

(2016) M FAIZAN et al.   BULLETIN OF MATERIALS SCIENCE

First-principles evaluation of Co-doped ZnS and ZnSe ferromagnetic semiconductors

(2016) Q. Mahmood et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Systematic study of room-temperature ferromagnetism and the optical response of Zn1−xTMxS/Se (TM  =  Mn, Fe, Co, Ni) ferromagnets: first-principle approach

(2016) Q Mahmood et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Criteria for extending the operation periods of thermoelectric converters based on IV-VI compounds

(2016) Yatir Sadia et al.   JOURNAL OF SOLID STATE CHEMISTRY

A Novel Theoretical Investigation of Electronic Structure and Half-Metallic Ferromagnetism in 3d (V)-Doped InP for Spintronic Applications

(2016) Yacine Cherfi et al.   Journal of Superconductivity and Novel Magnetism

Theoretical investigation of the structural, magnetic and band structure characteristics of Co2FeGe1−x Si x (x = 0, 0.5, 1) full-Heusler alloys

(2016) S. Amari et al.   JOURNAL OF THE KOREAN PHYSICAL SOCIETY

Search for half-metallic ferromagnetism in orthorhombic Ce(Fe/Cr)O3 perovskites

(2016) A. Abbad et al.   SOLID STATE COMMUNICATIONS

First-principles study on half-metallic properties of the Sr 2 GdReO 6 double perovskite

(2015) Saadi Berri   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Anomalous Hall effect in epitaxially grown ferromagnetic FeGa/Fe3Ga hybrid structure: Evidence of spin carrier polarized by clusters

(2013) Dang Duc Dung et al.   JOURNAL OF APPLIED PHYSICS

Submicron Features in Higher Manganese Silicide

(2013) Yatir Sadia et al.   Journal of Nanomaterials

First-principles characterization of ferromagnetism in N-doped SrTiO3 and BaTiO3

(2012) Kesong Yang et al.   APPLIED PHYSICS LETTERS

Magnetism mechanism in ZnO and ZnO doped with nonmagnetic elements X (X = Li, Mg, and Al): A first-principles study

(2012) Q. J. Wang et al.   APPLIED PHYSICS LETTERS

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

First-principles prediction of half-metallic ferromagnetism in Cu-doped ZnS

(2010) Chang-wen Zhang et al.   JOURNAL OF APPLIED PHYSICS

First-principles study on ferromagnetism in Mg-doped SnO2

(2009) Chang-wen Zhang et al.   APPLIED PHYSICS LETTERS

Half-metallic antiferromagnetic nature ofLa2VTcO6andLa2VCuO6fromab initiocalculations

(2009) Y. K. Wang et al.   PHYSICAL REVIEW B

Nucleation of nanosize particles following the spinodal decomposition in the pseudo-ternary Ge0.6Sn0.1Pb0.3Te compound

(2009) Boaz Dado et al.   SCRIPTA MATERIALIA

Origin and control of ferromagnetism in dilute magnetic semiconductors and oxides (invited)

(2008) Tomasz Dietl   JOURNAL OF APPLIED PHYSICS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS