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

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

Probing of mechanical, optical and thermoelectric characteristics of double perovskites Cs2GeCl/Br6 by DFT method

(2020) Q. Mahmood et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

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

Opto-electronic and thermoelectric properties of MgIn2X4 (X = S, Se) spinels via ab-initio calculations

(2019) Q. Mahmood et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Half-metallic ferromagnetism and optical behavior in alkaline-earth metals based Beryllium perovskites: DFT calculations

(2019) Q. Mahmood et al.   CHEMICAL PHYSICS LETTERS

Exploring the origin of p-type half-metallic ferromagnetism in beryllium doped alkali based perovskites

(2019) Q. Mahmood et al.   SOLID STATE COMMUNICATIONS

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

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

First principles study of ferromagnetism, optical and thermoelectric behaviours of AVO 3 (A = Ca, Sr, Ba) perovskites

(2018) Q. Mahmood et al.   MATERIALS CHEMISTRY AND PHYSICS

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

(2018) Qing Lu et al.   PHYSICAL REVIEW MATERIALS

Electronic structure and stability of anionic AuGen (n = 1–20) clusters and assemblies: a density functional modeling

(2018) Debashis Bandyopadhyay   STRUCTURAL CHEMISTRY

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

Study of electronic, magnetic and thermoelectric properties of AV 2 O 4 (A = Zn, Cd, Hg) by using DFT approach

(2017) Q. Mahmood et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

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

Magnetism, structures and stabilities of cluster assembled TM@Si nanotubes (TM = Cr, Mn and Fe): a density functional study

(2016) Kapil Dhaka et al.   DALTON TRANSACTIONS

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

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

(2015) Zhen Li et al.   CHEMISTRY OF MATERIALS

Study of electronic properties, stabilities and magnetic quenching of molybdenum-doped germanium clusters: a density functional investigation

(2014) Ravi Trivedi et al.   RSC Advances

Low-power non-volatile spintronic memory: STT-RAM and beyond

(2013) K L Wang et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Quantum Anomalous Hall Effect and Tunable Topological States in 3d Transition Metals Doped Silicene

(2013) Xiao-Long Zhang et al.   Scientific Reports

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

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

Magnetism in Re-based ferrimagnetic double perovskites

(2009) A Winkler et al.   NEW JOURNAL OF PHYSICS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

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

(2008) Tomasz Dietl   JOURNAL OF APPLIED PHYSICS

The discovery, development and future of GMR: The Nobel Prize 2007

(2008) Sarah M Thompson   JOURNAL OF PHYSICS D-APPLIED PHYSICS