EPR g factors and tetragonal distortion for the isoelectronic Ni+ and Cu2+ centers in the CuGaSe2 crystal

Feng, Wenlin; Li, X.M.; Zheng, Wen-Chen; Yang, Yao; Yang, Weiqing

doi:10.1016/j.jmmm.2010.10.003

Cited by 21 publications

(13 citation statements)

References 27 publications

(36 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We assume that the coupling to the reservoirs is such that there is equal probability for an electron to land in either one of the two magnetic ions. Since one of the ions changes its oxidation state when an electron is added, its anisotropy terms and the g-factors change as well (see [13,16], [37][38][39]).…”

Section: Sequential Transport Through the Moleculementioning

confidence: 99%

Single-electron transport in a three-ion magnetic molecule modulated by a transverse field

Romero

Mucciolo²

2014

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

We study single-electron transport in a three-ion molecule with strong uniaxial anisotropy and in the presence of a transverse magnetic field. Two magnetic ions are connected to each other through a third, nonmagnetic ion. The magnetic ions are coupled to ideal metallic leads and a back gate voltage is applied to the molecule, forming a field-effect transistor. The microscopic Hamiltonian describing this system includes inter-ion hopping, on-site repulsions and magnetic anisotropies. For a range of values of the parameters of the Hamiltonian, we obtain an energy spectrum similar to that of single-molecule magnets in the giant spin approximation where the two states with maximum spin projection along the uniaxial anisotropy axis are well separated from other states. In addition, upon applying an external in-plane magnetic field, the energy gap between the ground and first excited states of the molecule oscillates, going to zero at certain special values of the field, analogous to the diabolical points resulting from Berry phase interference in the giant spin model. Thus, our microscopic model provides the same phenomenological behavior expected from the giant spin model of a single-molecule magnet but with direct access to the internal structure of the molecule, thus making it more appropriate for realistic electronic transport studies. To illustrate this point, the nonlinear electronic transport in the sequential tunneling regime is evaluated for values of the field near these degeneracy points. We show that the existence of these points has a clear signature in the I-V characteristics of the molecule, most notably the modulation of excitation lines in the differential conductance.

show abstract

Section: Sequential Transport Through the Moleculementioning

confidence: 99%

Single-electron transport in a three-ion magnetic molecule modulated by a transverse field

Romero

Mucciolo²

2014

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

“…R x = 2.021, R y = 1.961, R z = 2.301 Å (13)) in the pure crystal (NH 4 ) 2 Cu(SO 4 ) 2 ·6H 2 O can be reasonably adopted here to study the EPR parameters of Cu 2+ in DHMS crystal. The ratioĀ 2 (R 0 )/Ā 4 (R 0 ) was found to be in the range 8-12 as per several studies of optical and EPR spectra using the superposition model for 3d n ions in crystals (19)(20)(21)24); here, we takeĀ 2 (R 0 ) ≈ 9Ā 4 (R 0 ). Consequently, the local structures of the systems are correlated to rhombic field parameters and hence to the EPR parameters.…”

Section: Calculationsmentioning

confidence: 98%

Investigation of the EPR parameters of the rhombic Cu²⁺center in (NH₄)₂Mg(SO₄)₂·6H₂O single crystal

Xiong

Zheng

2015

Radiation Effects and Defects in Solids

View full text Add to dashboard Cite

The electron paramagnetic resonance (EPR) parameters (g factors g x , g y , g z and hyperfine structure constants A x , A y , A z ) for Cu 2+ in (NH 4 ) 2 Mg(SO 4 ) 2 ·6H 2 O (DHMS) crystal are theoretically investigated using the high-order perturbation formulas of these parameters. In the calculations, the ligand orbital and spin-orbit coupling for the impurity Cu 2+ are taken into account; the required crystal-field parameters are estimated from the superposition model which enables correlation of the crystal-field parameters and hence the EPR parameters with the local structure of the impurity center. The ligand orbital and the spinorbit coupling contributions are included on the basis of the cluster approach. Based on the calculation, the theoretical EPR parameters show good agreement with the observed values. The results are discussed.

show abstract

“…Eu 2+ , Eu 2+ and Gd 3+ co-doped SrAl 2 O 4 phosphors can be synthesized by solid-state reaction method, and the properties investigated for their structure, composition and luminescence by utilizing x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS) analysis and photo-luminescence spectra [15]. Also, SrAl 2 O 4 : Pr 3+ phosphors were successfully prepared by the high-temperature solid-phase method [16], and Feng and Zheng [17] gave a theoretical analysis of spin-Hamiltonian parameters for the rhombic Cu 2+ centres in CuGaSe 2 crystal.…”

Section: Introductionmentioning

confidence: 99%

Aggregate frequency width, nuclear hyperfine coupling and Jahn–Teller effect of Cu²⁺impurity ion ESR in SrLaAlO₄dielectric resonator at 20 millikelvin

Hosain

Floch

Křupka

et al. 2017

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

The impurity paramagnetic ion, [Formula: see text] substitutes Al in the [Formula: see text] single crystal lattice, this results in a [Formula: see text] elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal [Formula: see text] at 20 millikelvin. Measured parallel hyperfine constants, [Formula: see text], were determined to be [Formula: see text] and [Formula: see text] at [Formula: see text] for the nuclear magnetic quantum number [Formula: see text], and [Formula: see text] respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, [Formula: see text], is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, [Formula: see text], (within [Formula: see text] so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter [Formula: see text] shows that the mean inverse third power of the electron distance from the nucleus is [Formula: see text] a.u. for [Formula: see text] ion in the substituted [Formula: see text] ion site assuming nuclear electric quadruple moment [Formula: see text] barn.

show abstract

EPR g factors and tetragonal distortion for the isoelectronic Ni+ and Cu2+ centers in the CuGaSe2 crystal

Cited by 21 publications

References 27 publications

Single-electron transport in a three-ion magnetic molecule modulated by a transverse field

Single-electron transport in a three-ion magnetic molecule modulated by a transverse field

Investigation of the EPR parameters of the rhombic Cu²⁺center in (NH₄)₂Mg(SO₄)₂·6H₂O single crystal

Aggregate frequency width, nuclear hyperfine coupling and Jahn–Teller effect of Cu²⁺impurity ion ESR in SrLaAlO₄dielectric resonator at 20 millikelvin

Contact Info

Product

Resources

About

EPR g factors and tetragonal distortion for the isoelectronic Ni+ and Cu2+ centers in the CuGaSe2 crystal

Cited by 21 publications

References 27 publications

Single-electron transport in a three-ion magnetic molecule modulated by a transverse field

Single-electron transport in a three-ion magnetic molecule modulated by a transverse field

Investigation of the EPR parameters of the rhombic Cu2+center in (NH4)2Mg(SO4)2·6H2O single crystal

Aggregate frequency width, nuclear hyperfine coupling and Jahn–Teller effect of Cu2+impurity ion ESR in SrLaAlO4dielectric resonator at 20 millikelvin

Contact Info

Product

Resources

About

Investigation of the EPR parameters of the rhombic Cu²⁺center in (NH₄)₂Mg(SO₄)₂·6H₂O single crystal

Aggregate frequency width, nuclear hyperfine coupling and Jahn–Teller effect of Cu²⁺impurity ion ESR in SrLaAlO₄dielectric resonator at 20 millikelvin