Crystal field calculations of energy levels of the Ni2+ ions in MgO (original) (raw)

Ab initio model potential calculations on the electronic spectrum of Ni2+-doped MgO including correlation, spin–orbit and embedding effects

Luis Seijo

The Journal of Chemical Physics, 1996

View PDFchevron_right

Crystal field studies of the MgAl~ 2O~ 4: Ni^ 2^+ ground and excited state absorption

Nicolae Avram

2006

View PDFchevron_right

Ground and excited state absorption of Ni2+ ions in MgAl2O4: Crystal field analysis

Nicolae Avram

Journal of Alloys and Compounds, 2007

View PDFchevron_right

Electronic structure of the [MgO3]+ cation

Yazidi Ounaies

The Journal of Chemical Physics, 2012

View PDFchevron_right

Modeling of crystal field and spin-Hamiltonian parameters for Ti3+: MgO

Adrian-Sorin Gruia

View PDFchevron_right

Local characteristics of the electronic structure of MgO: LCAO and plane-wave calculations

Ilya Tupitsyn

International Journal of Quantum Chemistry, 2005

View PDFchevron_right

Magnetic Ion Exchange Interactions in NiO–MgO Solid Solutions

G. Mariotto, U. Ulmanis

Physics of the Solid State, 2005

View PDFchevron_right

Ni Substitutional Defects in Bulk and at the (001) Surface of MgO from First-Principles Calculations

Aliaksei Mazheika

The Journal of Physical Chemistry C

View PDFchevron_right

Ferromagnetism in Nitrogen Doped Magnesium Oxide: a First Principle Study

Vinit Sharma

2011

View PDFchevron_right

Potential energy surfaces of Mg+N2 and quenching of the 3P and 1P states of Mg. A theoretical ab initio SCF CI study

Patrick Chaquin

Chemical Physics, 1988

View PDFchevron_right

The bonding in the low-lying states of MgO+2

Mariona Sodupe

Chemical Physics Letters, 1993

View PDFchevron_right

Analysis of electronic structure and X-ray absorption and emission spectra in MgO within the FP-LAPW method

Enrique González

2018

View PDFchevron_right

Ab Initio Study on Nitrogen or Carbon Doped Magnesium Oxide

Xu Zuo

IEEE Transactions on Magnetics, 2000

View PDFchevron_right

Influence of Electron Correlation Effects on Bulk MgO Energetic Properties

Viorel Chihaia

Bulgarian chemical …, 2002

View PDFchevron_right

Influence of the Basis Sets and Numerical Accuracy Control on Bulk MgO Energetic Properties. Hartree-Fock Calculations

Viorel Chihaia

Bulgarian chemical …, 2002

View PDFchevron_right

Electronic and magnetic properties of C-doped Mg3N2: A density functional theory study

Ying Dai

Solid State Communications, 2010

View PDFchevron_right

Crystal field effects on interionic distance in cubic MgO crystal doped with Fe2+ ions

Adrian-Sorin Gruia

Physica B: Condensed Matter, 2014

View PDFchevron_right

X-ray and Electron Diffraction Study of MgO

A. Avilov, R. Kitaneh, Elena Belokoneva, Vladimir Tsirelson

Acta Crystallographica Section B Structural Science, 1998

View PDFchevron_right

Optical absorption spectra and g factor of MgO: Mn2+explored by ab initio and semi empirical methods

Nicolae Avram

Journal of Physics and Chemistry of Solids, 2018

View PDFchevron_right

Ferromagnetism in nitrogen-doped MgO: Density-functional calculations

Stefan Bluegel

Physical Review B, 2009

View PDFchevron_right

EPR of Mn2+ in the kagomé staircase compound Mg2.97Mn0.03V2O8

Pavlo Aleshkevych, Marek Gutowski

Journal of Magnetic Resonance, 2010

View PDFchevron_right

Ferromagnetism in IV main group element (C) and transition metal (Mn) doped MgO: A density functional perspective

Vinit Sharma

AIP Advances, 2011

View PDFchevron_right

Density functional theory and complete basis set ab initio computational study of the molecular interaction between the magnesium atom and nitrogen oxide cation: is the nitrogen oxide cation responsible for higher magnesium cation/atom ratio in the Earth's upper atmosphere?

Branko Jursic

Journal of Molecular Structure: THEOCHEM, 2000

View PDFchevron_right

First principles investigation of the substitutional doping of Mn in Mg2Ni phase and the electronic structure of Mg3MnNi2 phase

Hamzaoui Rabah

View PDFchevron_right

V OH center in magnesium oxide: an ab initio supercell study

G M

Chemical Physics Letters, 2000

View PDFchevron_right

Analysis of the MgO structure factors

Pietro Cortona

Physical Review B, 1999

View PDFchevron_right

The Quantum-Topological Analysis of Electron Density in Mgo Crystal

Vladimir Tsirelson

Nihon Kessho Gakkaishi, 1995

View PDFchevron_right

Electronic structure of the V-centre in MgO

Anand Pathak

Journal of Physics C: Solid State Physics

View PDFchevron_right