Search Results - "AVRAM, N. M"
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Ground and excited state absorption of Ni2+ ions in MgAl2O4 : Crystal field analysis
Published in Journal of alloys and compounds (01-04-2007)“…The exchange charge model (ECM) of crystal field is utilized to provide the theoretical explanation of the ground state absorption and the excited state…”
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First-principles calculations of structural, electronic, optical, elastic properties and microscopic crystal field effects in Rb2CrF6
Published in Computational materials science (01-06-2011)“…In the present work we report on the results of ab initio calculations of the optimized crystal structure, band structure, density of states (DOS), optical and…”
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Electron-phonon coupling and Jahn-Teller effect in KMgF3:Cr3
Published in Physica Status Solidi (b) (01-11-2004)“…Energy levels of the Cr3+ ion in the KMgF3 crystal are analyzed by means of the crystal field theory. Electron–phonon coupling constants (the Stokes shift, the…”
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Crystal field effects on interionic distance in cubic MgO crystal doped with Fe2+ ions
Published in Physica. B, Condensed matter (01-10-2014)“…The exchange charge model of crystal field was applied to determine the dependence of the crystal field strength 10Dq on interionic distances R between the…”
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Advances of crystal field theory and exchange charge model
Published in Magnetic resonance in solids (2019)“…A short overview of the exchange charge model of crystal field is given. Several most important applications of the model to the calculations of the crystal…”
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Semi-empirical and ab initio DFT modeling of the spin-Hamiltonian parameters for Fe6+: K2MO4 (M = S, Cr, Se)
Published in Physica scripta (19-09-2014)“…In this paper we calculated the spin-Hamiltonian parameters (g factors , and zero field splitting parameter D) for Fe6+ ions doped in K2MO4 (M = S, Cr, Se)…”
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Non-radiative transitions in the anharmonic oscillating field model
Published in Physica. B, Condensed matter (15-07-2005)“…Non-radiative transitions (NRT) between electron states of an impurity ion are considered in the framework of the energy levels crossing model. NRT is supposed…”
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Spectroscopic and crystal field studies of LiAlO2:Mn2+ single crystals
Published in Journal of alloys and compounds (10-09-2010)Get full text
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Ab initio calculations of the electronic, structural and elastic properties of Nb2InC
Published in Computational materials science (01-10-2012)“…► Structural, electronic, and elastic properties of Nb2InC were calculated. ► Pressure effects on the structural and elastic properties were analyzed. ► For…”
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Empirical relation between covalence and the energy position of the Ni2+1E state in octahedral complexes
Published in Journal of luminescence (01-04-2014)“…In this paper, a simple empirical equation that relates the energy of the spin-forbidden 3A2–1E transition of the octahedrally coordinated Ni2+ ion with the…”
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Calculation of the spectral, structural, and electronic properties of NaCrSi2O6 and LiCrSi2O6 crystals
Published in Optical materials (01-08-2013)“…•Combined analysis based on crystal field theory and DFT independent methods have been used for (Na, Li)CrSi2O6 crystals.•Crystal field parameters modeling and…”
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Journal Article Conference Proceeding -
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First principles and crystal field calculations of the spectral, structural and electric properties of (Na, Li)VSi2O6 clinopyroxenes crystals
Published in Physica scripta (19-09-2014)“…In the present paper we report on the results of theoretical modeling of the structural, spectral and electronic properties of (Na, Li)VSi2O6 clinopyroxenes…”
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Comparative study of crystal field effects for Ni2+ ion in LiGa5O8, MgF2 and AgCl crystals
Published in The Journal of physics and chemistry of solids (01-07-2008)Get full text
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The luminescent properties of a ZnGa2O4 spinel doped with Eu3+ and Er3+ ions
Published in Physica scripta (01-07-2009)Get full text
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Studies of variation of interionic distances and crystal field effects in ZnS:V2+ and MgO:Cr3
Published in Optical materials (01-10-2010)Get full text
Conference Proceeding Journal Article -
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Crystal field effects and electron-phonon interaction in K2LiAlF6:Cr3
Published in Physica. B, Condensed matter (01-03-2010)Get full text
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Comparative crystal field study of Ni2+ energy levels in NiCl2, NiBr2, and NiI2 crystals
Published in Physica. B, Condensed matter (15-01-2006)Get full text
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Crystal field analysis of energy level structure of the Cr2O3 antiferromagnet
Published in Solid state communications (01-12-2004)Get full text
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Calculations of spin hamiltonian parameters and analysis of trigonal distortions in LiSr(Al,Ga)F6:Cr3+ crystals
Published in Physica. B, Condensed matter (01-10-2006)“…The effective spin-Hamiltonian (SH) parameters (zero-field splitting D and g factors g and g) for Cr3+ ions in LiSr(Al,Ga)F6 crystals are calculated from the…”
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Conference Proceeding Journal Article