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Ge$_{1-x}$Fe$_{x}$ (Ge:Fe) shows ferromagnetic behavior up to a relatively high temperature of 210 K, and hence is a promising material for spintronic applications compatible with Si technology. We have studied its electronic structure by…

Temperature dependent measurements of 57Fe Mossbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra…

Materials Science · Physics 2016-01-27 Sergey L. Bud'ko , Xiaoming Ma , Milan Tomic , Sheng Ran , Roser Valenti , Paul C. Canfield

Hyperfine interactions couple nuclear and electronic degrees of freedom. The present work explores how hyperfine coupling within the Tm ions in TmVO$_4$ single crystals affects an electronic ferroquadrupole ordered ground state and its…

Strongly Correlated Electrons · Physics 2025-09-16 Mark P. Zic , Chao Huan , Nicolas Silva , Yuntian Li , Mark W. Meisel , Ian R. Fisher

First-principles calculations of $e$-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) $e$-ph interaction, a long-range scattering mechanism due to…

Materials Science · Physics 2020-09-30 Vatsal A. Jhalani , Jin-Jian Zhou , Jinsoo Park , Cyrus E. Dreyer , Marco Bernardi

We combine density functional theory, x-ray magnetic circular dichroism, multiplet calculations, and scanning tunneling spectroscopy to assess the magnetic properties of Fe atoms adsorbed on a thin layer of MgO(100) on Ag(100). Despite the…

In this contribution, we investigate the interaction between electric and magnetic fields with an electric quadrupole moment of a spinless particle moving in an elastic medium which has a topological defect (screw dislocation). By…

Quantum Physics · Physics 2021-03-02 H. Hassanabadi , S. Zare , J. Kríž , B. C. Lütfüoğlu

General expressions of the electron yield in (^{57})Fe integral conversion electron M\"ossbauer spectroscopy were derived depending on the angle of incidence of the (\gamma)-rays, on the source polarization and on the isotopic abundance of…

Other Condensed Matter · Physics 2015-03-04 Sz. Sajti , F. Tancziko , L. Deak , D. L. Nagy , L. Bottyan

The effective electric field experienced by the unpaired electron in the ground state of PbF, which is a potential candidate in the search of electron electric dipole moment due to some special characteristics, is calculated using Z-vector…

Atomic Physics · Physics 2015-08-28 Sudip Sasmal , Himadri Pathak , Malaya K. Nayak , Nayana Vaval , Sourav Pal

Within the nuclear DFT framework, employing the Skyrme UNEDF1 functional and incorporating pairing correlations, we determined the spectroscopic electric quadrupole and magnetic dipole moments of the $\nu11/2^{-}$ and $\pi7/2^{+}$…

An accurate determination of the effective electric field (Eeff) in YbF is important, as it can be combined with the results of future experiments to give an improved new limit for the electric dipole moment of the electron. We report a…

Atomic Physics · Physics 2015-06-19 M. Abe , G. Gopakumar , M. Hada , B. P. Das , H. Tatewaki , D. Mukherjee

The first direct experimental observation of an electric quadrupole ($\textit{E}$2) transition between bound states of an atomic negative ion has been made. The transition was observed in the negative ion of bismuth by resonant (1+1)…

Atomic Physics · Physics 2021-03-03 C. W. Walter , S. E. Spielman , R. Ponce , N. D. Gibson , J. N. Yukich , C. Cheung , M. S. Safronova

We compute the thermodynamic phase diagram of seventeen elemental metals with hexagonal close-packed (hcp), face-centered cubic (fcc), and body-centered cubic (bcc) crystal structures using finite-temperature density functional theory.…

Materials Science · Physics 2026-04-15 S. Azadi , S. M. Vinko , A. Principi , T. D. Kuehne , M. S. Bahramy

By applying the WKB (Wentzel, Kramers, Brillouin) approximation, we analyse the interaction of the electric quadrupole moment of a neutral particle with radial electric fields produced by a non-uniform electric charge densities. Then, we…

Quantum Physics · Physics 2019-03-08 K. Bakke

We study $\Gamma_3$ quadrupole orders in a face-centered cubic lattice. The $\Gamma_3$ quadrupole moments under cubic symmetry possess a unique cubic invariant in their free energy in the uniform ($q=0$) sector and the triple-q sector for…

Strongly Correlated Electrons · Physics 2023-07-06 Kazumasa Hattori , Takayuki Ishitobi , Hirokazu Tsunetsugu

Antiferromagnetic resonance in a bulk $\alpha$-MnTe crystal is investigated using both frequency-domain and time-domain THz spectroscopy techniques. At low temperatures, an excitation at the photon energy of $(3.5\pm 0.1)$~meV is observed…

As a possible mechanism of the $\gamma-\alpha$ phase transition in pristine cerium a change of the electronic density from a disordered state with symmetry Fm-3m to an ordered state Pa-3 has been proposed. Here we include on-site and inter-…

Strongly Correlated Electrons · Physics 2009-11-07 A. V. Nikolaev , K. H. Michel

We report the value of the electric quadrupole moment of $^{209}$Bi extracted from the atomic data. For this, we performed electronic structure calculations for the ground $^4S^o_{3/2}$ and excited $^2P^o_{3/2}$ states of atomic Bi using…

Atomic Physics · Physics 2021-09-22 L. V. Skripnikov , A. V. Oleynichenko , A. V. Zaitsevskii , D. E. Maison , A. E. Barzakh

The nuclear electric quadrupole moment (NQM) of $^{87}$Sr has recently been revisited using high-precision relativistic atomic calculations [B. Lu et al., Phys. Rev. A 100, 012504 (2019)], indicating that the currently accepted value should…

Chemical Physics · Physics 2026-02-03 Gabriele Fabbro , Jan Brandejs , Trond Saue

We determined electronic relaxation times via pump-probe optical spectroscopy using sub-15 fs pulses for the normal state of two different cuprate superconductors.We show that the primary relaxation process is the electron-phonon…

We present a unified variational treatment of the electric quadrupole (E2) matrix elements, Einstein coefficients, and line strengths for general open-shell diatomic molecules in the general purpose diatomic code \Duo. Transformation…

Atomic and Molecular Clusters · Physics 2021-11-11 Wilfrid Somogyi , Sergey N. Yurchenko , Andrey Yachmenev