Half metallic ferromagnetic and optical properties of ruthenium-doped zincblende ZnS: A first principles study
Magnetic and optical properties of Ru-doped ZnS have been investigated using first
principles calculations. Due to Ru dopants, nonmagnetic ZnS becomes magnetic. Ru …
principles calculations. Due to Ru dopants, nonmagnetic ZnS becomes magnetic. Ru …
Magnetic properties of transition metal doped SnO2: A detailed theoretical study
Magnetic properties of transition metal (3d) doped SnO 2 have been theoretically studied in
the framework of density functional theory. All the ten 3d-transition metal ions doped at Sn …
the framework of density functional theory. All the ten 3d-transition metal ions doped at Sn …
[HTML][HTML] Defect induced room temperature ferromagnetism in methylammonium lead iodide perovskite
The meteoric rise in the photovoltaic performance of organic-inorganic hybrid perovskite is a
conspicuous reflection of its defect tolerance nature. The presence of lattice defect in organo …
conspicuous reflection of its defect tolerance nature. The presence of lattice defect in organo …
Half-metallic ferromagnetism in molybdenum doped methylammonium lead halides (MAPbX3, X= Cl, Br, I) system: first-principles study
Magnetic properties of molybdenum doped methylammonium lead halides (MAPbX 3, X= Cl,
Br, I) system has been studied using density functional theory for the very first time. Spin …
Br, I) system has been studied using density functional theory for the very first time. Spin …
First-principles analysis of ferromagnetic properties of molybdenum-doped wide-band-gap oxides
The possibility of ferromagnetic ordering in four different Mo-doped oxide semiconductors
has been studied theoretically using density functional theory. All four systems, namely Mo …
has been studied theoretically using density functional theory. All four systems, namely Mo …
LSDA and LSDA study of pure and Cd-doped cubic lanthanide sesquioxides
The electronic, structural, and hyperfine properties of pure and Cd-doped lanthanide (Ln)
sesquioxides with the cubic bixbyite structure (Ln 2 O 3, Ln ranging from La to Lu) have …
sesquioxides with the cubic bixbyite structure (Ln 2 O 3, Ln ranging from La to Lu) have …
Ab-initio calculation of the magnetic properties of P and As doped SnO2
Magnetic properties of SnO 2 has been theoretically studied by systematically do**
various p-block elements (viz., B, C, N, Al, Si, P, S, Ga, Ge, As) at oxygen site. Density …
various p-block elements (viz., B, C, N, Al, Si, P, S, Ga, Ge, As) at oxygen site. Density …
Ferromagnetism in p-block-element doped ZnO: an ab-initio approach
Magnetic and electrical properties of various p-block-elements (B, Al, Ga, C, Si, Ge, N, P and
As) doped ZnO system has been studied using first principle approach. The source of the …
As) doped ZnO system has been studied using first principle approach. The source of the …
Ab Initio Study of Structural, Electronic, and Hyperfine Properties of n-type SnO2:Ta Semiconductor
A detailed theoretical first-principles study of structural, electronic, and hyperfine properties
at Sn and Ta sites of undoped and Ta-doped rutile SnO2 is presented, using the Full …
at Sn and Ta sites of undoped and Ta-doped rutile SnO2 is presented, using the Full …
Room-temperature ferromagnetism in boron-doped oxides: a combined first-principle and experimental study
The ferromagnetic properties of boron-doped oxides, namely ZnO, MgO, CdO and TiO2
have been studied using first-principle calculations based on density functional theory. A …
have been studied using first-principle calculations based on density functional theory. A …