Dorina Croitori
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View article: Ab initio Modeling of Phonons in the Family of Quasi-One-Dimensional Antiferromagnets AFeX2
Ab initio Modeling of Phonons in the Family of Quasi-One-Dimensional Antiferromagnets AFeX2 Open
A review of the recent development in ab initio calculations of the vibrational properties of quasi-one-dimensional (1D) antiferromagnets with AFeX2 structure is presented. Density functional theory (DFT + U) was applied to calculate the p…
View article: On the Electrical Conductivity of Quasi-One-Dimensional Antiferromagnet Rbfese 2: Ab Initio and Experimental Study
On the Electrical Conductivity of Quasi-One-Dimensional Antiferromagnet Rbfese 2: Ab Initio and Experimental Study Open
View article: Spatially resolving superconductivity in type-II superconductors
Spatially resolving superconductivity in type-II superconductors Open
Superconductivity is identified by the emergence of a macroscopic zero-resistance state, typically inferred from a vanishing four-probe voltage at finite current. That inference assumes spatially uniform conduction-e.g., at least one conti…
View article: Density Functional Theory Approach to the Vibrational Properties and Magnetic Specific Heat of the Covalent Chain Antiferromagnet KFeS2
Density Functional Theory Approach to the Vibrational Properties and Magnetic Specific Heat of the Covalent Chain Antiferromagnet KFeS2 Open
Ternary potassium-iron sulfide, KFeS2, belongs to the family of highly anisotropic quasi-one-dimensional antiferromagnets with unusual “anti-Curie–Weiss” susceptibility, quasi-linearly growing with a rising temperature up to 700 K, an almo…
View article: Magnetic and vibrational properties of the covalent chain antiferromagnet RbFeS<sub>2</sub>
Magnetic and vibrational properties of the covalent chain antiferromagnet RbFeS<sub>2</sub> Open
Ternary rubidium-iron sulfide, RbFeS 2 , belongs to a family of quasi-one-dimensional compounds with the general chemical composition A Fe Ch 2 (where A – K, Rb, Cs, Tl; Ch – S, Se). Understanding the magnetic properties of these compounds…
View article: Photoinduced long-lived state in FeSe0.4Te0.6
Photoinduced long-lived state in FeSe0.4Te0.6 Open
FeSe$_{x}$Te$_{1-x}$ compounds present a complex phase diagram, ranging from\nthe nematicity of FeSe to the $(\\pi, \\pi)$ magnetism of FeTe. We focus on\nFeSe$_{0.4}$Te$_{0.6}$, where the nematic ordering is absent at equilibrium. We\nuse…
View article: Application of Nuclear Inelastic Scattering Spectroscopy to the Frequency Scale Calibration of Ab Initio Calculated Phonon Density of States of Quasi-One-Dimensional Ternary Iron Chalcogenide RbFeSe2
Application of Nuclear Inelastic Scattering Spectroscopy to the Frequency Scale Calibration of Ab Initio Calculated Phonon Density of States of Quasi-One-Dimensional Ternary Iron Chalcogenide RbFeSe2 Open
This study aims to examine the applicability of nuclear inelastic scattering (NIS) and conventional Mössbauer spectroscopy for calibration of the frequency scale of ab initio calculated phonon density of states (PDOS) of iron ternary chalc…
View article: Structure, superconductivity, and magnetism in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Rb</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Fe</mml:mi><mml:mrow><mml:mn>1.6</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mi>Se</mml:mi><mml:mrow><mml:mn>2</mml:mn><mml:mo>−</mml:mo><mml:mi>z</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mi>z</mml:mi></mml:msub></mml:mrow></mml:math>
Structure, superconductivity, and magnetism in Open
The single-crystal growth, stoichiometry, and structure of Rb1-xFe2-ySe2-zSz\ncrystals with substitution of Se by S are reported. The variation of the\nmagnetic and thermodynamic parameters of samples was studied by\ndifferential-scanning …
View article: Evidence of the Plaquette Structure of Fe<sub>1+<i>x</i></sub>Te Iron Telluride: Mössbauer Spectroscopy Study
Evidence of the Plaquette Structure of Fe<sub>1+<i>x</i></sub>Te Iron Telluride: Mössbauer Spectroscopy Study Open
Single‐crystalline Fe 1+ x Te iron telluride with off‐stoichiometric iron has been synthesized by the Bridgman method. The X‐ray diffraction and wave‐length‐dispersive X‐ray electron‐probe microanalysis characterization have shown Fe 1.125…
View article: DFT and Mössbauer Spectroscopy Study of a FeTe0.5Se0.5 Single Crystal
DFT and Mössbauer Spectroscopy Study of a FeTe0.5Se0.5 Single Crystal Open
The iron based superconductor FeSe0.5Te0.5 has been studied applying Mössbauer spectroscopy and ab initio density functional theory calculations of hyperfine parameters of iron nuclei. It has been shown that the presence of interstitial ir…
View article: Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>RbFeS</mml:mi><mml:msub><mml:mi mathvariant="normal">e</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet Open
The magnetic specific heat of $\mathrm{RbFeS}{\mathrm{e}}_{2}$ and the spin state of $\mathrm{F}{\mathrm{e}}^{3+}$ ions in the compound have been studied. Phonon dispersion and phonon density of states (PDOS), element specific and total, w…
View article: Growth of FeTe single crystals and investigation of their structure and magnetic properties
Growth of FeTe single crystals and investigation of their structure and magnetic properties Open
In the present work, the growth of Fe1 xTe single crystals by the Bridgman method, their structure and magnetic properties are reported. The chemical composition of the Fe1.06Te crystals is determined from the X-ray diffraction pattern. Th…
View article: Mössbauer spectroscopy evidence of intrinsic non‐stoichiometry in iron telluride single crystals
Mössbauer spectroscopy evidence of intrinsic non‐stoichiometry in iron telluride single crystals Open
The FeTe parent compound for iron‐superconductor chalcogenides was studied applying Mössbauer spectroscopy accompanied by ab initio calculations of electric field gradients at the iron nuclei. Room‐temperature (RT) Mössbauer spectra of sin…