Studies of FemIrn nano clusters using Density Functional Theory Techniques (original) (raw)

Computational and Theoretical Chemistry, 2017

View PDFchevron_right

Structure, Stability, Electronic and Magnetic Properties of FemBin (m + n = 2–4) Clusters: A DFT Study

nirmala vedamanickam

Russian Journal of Physical Chemistry A, 2022

View PDFchevron_right

A theoretical investigation on geometry and electronic structure of small FemSn nanoclusters (1⩽m,n⩽4)

Samaneh Rezaei

Computational and Theoretical Chemistry, 2012

View PDFchevron_right

Ab initio study of structural, electronic and magnetic properties of iron clusters Fen (n=2-13)

Madani Samah

Revista Mexicana De Fisica, 2011

View PDFchevron_right

Structure and electronic properties of iron oxide clusters: A first-principles study

Johans Restrepo, José Mejía-López

Physical Review B, 2009

View PDFchevron_right

Magnetic moment and local moment alignment in anionic and/or oxidized Fe clusters

Rodolfo Robles

2010

View PDFchevron_right

Ab-initio DFT simulation of electronic and magnetic properties of Tin+1and FeTin clusters

Rima Haichour

2021

View PDFchevron_right

Density functional study of ternary Fe x Co y Ni z (x + y + z = 7) clusters

Juvencio Robles

Theoretical Chemistry Accounts, 2013

View PDFchevron_right

Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study

Lucas Fernández Seivane, P. Entel

Physical Review B, 2010

View PDFchevron_right

Systematic Investigation of the Structure, Stability, and Spin Magnetic Moment of CrMn Clusters (M = Cu, Ag, Au, and n = 2–20) by DFT Calculations

ngo thi Lan

ACS Omega

View PDFchevron_right

Symmetry-Switching Molecular Fe(O 2 ) n + Clusters

Claudia Mihesan

The Journal of Physical Chemistry A, 2011

View PDFchevron_right

First-principles study of TMNa n (TM = Cr, Mn, Fe, Co, Ni; n = 4–7) clusters

Shiv Khanna

Journal of Physics: Condensed Matter, 2008

View PDFchevron_right

Fe clusters on Ni and Cu: size and shape dependence of the spin moment

S. Blügel

Applied Physics A, 2005

View PDFchevron_right

Structural, magnetic and electronic properties of FexCoyIrz (x + y + z = 5, 6) clusters: an ab initio study

Assa Aravindh

View PDFchevron_right

Structure and magnetic properties of FenGd clusters, n = 12 − 19

Charles Weatherford

The European Physical Journal D, 2014

View PDFchevron_right

Structure and magnetism on iron oxide clusters Fe n O m ( n = 1-5): Calculation from first principles

Tatsuki Oda

The European Physical Journal D - Atomic, Molecular and Optical Physics, 2003

View PDFchevron_right

Tight-binding molecular-dynamics study of ferromagnetic clusters

Madhu Menon

Physical Review B, 1998

View PDFchevron_right

Theoretical study of small clusters of Iron-doped Group III antimonides- Fe (M-X) where M=Al, Ga & In and X-Sb

Apoorva Dwivedi

View PDFchevron_right

A density-functional study of the structures, binding energies and total spins of Ni–Fe clusters using nonlocal norm-conserving pseudopotentials and the generalized gradient approximation

Luis Gallego

The Journal of Chemical Physics, 2005

View PDFchevron_right

Electronic and magnetic properties of Fe2Sin (1 ≤ n ≤ 12)+/0/− clusters

Dinesh Bista

Chemical Physics Letters, 2018

View PDFchevron_right

Electronic Structure of Small Clusters Containing the Iron and Oxygen.

Valentyna Shvets

2009

View PDFchevron_right

Sulfur KEdge XAS and DFT Calculations on [Fe 4 S 4 ] 2+ Clusters: Effects of H-bonding and Structural Distortion on Covalency and Spin Topology

Abhishek Dey

Inorganic Chemistry, 2005

View PDFchevron_right

Synthesis, Structures, and Magnetic Properties of Fe2, Fe17, and Fe19 Oxo-Bridged Iron Clusters: The Stabilization of High Ground State Spins by Cluster Aggregates

Annie Powell

Journal of the American Chemical Society, 1995

View PDFchevron_right

Electronic structure study of clusters containing triiron metal atoms: QTAIM Approach

Shatha Raheem Helal Alhimidi

Science Archives

View PDFchevron_right

FeO clusters

George Maroulis

View PDFchevron_right

Density functional calculations for small iron clusters with substitutional phosphorus

Dennis Salahub

Journal of Nuclear Materials, 2011

View PDFchevron_right

Magnetic properties of dodecanuclear mixed valence iron clusters

Roberta Sessoli

Inorganica Chimica Acta, 1996

View PDFchevron_right

Trends in the magnetic properties of Fe, Co, and Ni clusters and monolayers on Ir(111), Pt(111), and Au(111)

Ondrej Sipr

Physical Review B, 2012

View PDFchevron_right

A theoretical investigation on the clusters by density functional theory methods

Jorge Morales

2005

View PDFchevron_right

The Electronic and Magnetic Properties of FCC Iron Clusters in FCC 4D Metals

Abbasher Mahmoud Gismelseed

Hyperfine Interactions, 2006

View PDFchevron_right

DFT Study of Heteronuclear (TMFeO3)x Molecular Clusters (Where TM = Sc, Ti, Fe and x = 2, 4, 8) for Photocatalytic and Photovoltaic Applications

sidra arif

Energies

View PDFchevron_right

Studies of FemIrn nano clusters using Density Functional Theory Techniques (original) (raw)

Related papers