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A computational study of the Electron Paramagnetic Resonance (EPR) $g$-tensors and hyperfine tensors of Li and Ga vacancies in LiGaO$_2$ is presented. Density Functinal Theory (DFT) calculations are carried out of the Ga and Li vacancies…

Materials Science · Physics 2020-04-22 Dmitry Skachkov , Walter Lambrecht , Klichchupong Dabsamut , Adisak Boonchun

A computational study of the electron paramagnetic resonance (EPR) $g$-tensors and hyperfine tensors in Mg and Zn doped $\beta$-Ga$_2$O$_3$ is presented. While Mg has been found previously to prefer the octahedral site, we find here that Zn…

Materials Science · Physics 2019-05-16 Dmitry Skachkov , Walter R. L. Lambrecht

A theory for the reliable prediction of the EPR g-tensor for paramagnetic defects in solids is presented. It is based on density functional theory and on the gauge including projector augmented wave (GIPAW) approach to the calculation of…

Materials Science · Physics 2009-11-07 Chris J. Pickard , Francesco Mauri

We present general expressions for the magnetic transition rates in beam Electron Paramagnetic Resonance (EPR) experiments of anisotropic spin systems in the solid state. The expressions apply to general spin centers and arbitrary…

Mesoscale and Nanoscale Physics · Physics 2015-01-14 Joscha Nehrkorn , Alexander Schnegg , Karsten Holldack , Stefan Stoll

Various defects in ZnO, focused on substitutional N$_O$ and N$_2$ in various sites, O-site, interstitial and Zn-site are studied using first-principles calculations with the goal of understanding the electron paramagnetic resonance (EPR)…

Materials Science · Physics 2022-11-02 Klichchupong Dabsamut , Adisak Boonchun , Walter R. L. Lambrecht

Electron paramagnetic resonance (EPR) is a valuable tool for physics, chemistry, biology and medicine, providing complementary spectroscopic information to NMR. It has long been known that EPR at high magnetic fields offers greater spectral…

Electron paramagnetic resonance (EPR) spectroscopy is widely employed to characterize paramagnetic complexes. Recently, EPR combined with scanning tunneling microscopy (STM) achieved single-spin sensitivity with sub-angstrom spatial…

Mesoscale and Nanoscale Physics · Physics 2020-10-09 Tom S. Seifert , Stepan Kovarik , Dominik M. Juraschek , Nicola A. Spaldin , Pietro Gambardella , Sebastian Stepanow

Multi-high-frequency electron paramagnetic resonance(EPR) spectrum for a supermolecular dimer $[ Mn_4]_2$ of single-molecule magnets recently reported [S. Hill, R. S. Edwards, N. Aliaga-Alcalde and G. Christou(HEAC), Science 302, 1015…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Xu Chang-Tan , Liang J-Q

We present an electron paramagnetic resonance (EPR) study of ErSc2N@C80 fullerene in which there are two Er3+ sites corresponding to two different configurations of the ErSc2N cluster inside the C80 cage. For each configuration, the EPR…

We compute the orbital magnetization in real materials by evaluating a recently discovered formula for periodic systems, within density functional theory. We obtain improved values of the orbital magnetization in the ferromagnetic metals…

Materials Science · Physics 2010-02-19 Davide Ceresoli , Uwe Gerstmann , Ari P. Seitsonen , Francesco Mauri

Multifrequency pulsed electron paramagnetic resonance (EPR) spectroscopy using S-, X-, Q- and W-Band frequencies (3.6, 9.7, 34, and 94 GHz, respectively) was employed to study paramagnetic coordination defects in undoped hydrogenated…

Materials Science · Physics 2011-09-20 M. Fehr , A. Schnegg , B. Rech , K. Lips , O. Asthakov , F. Finger , G. Pfanner , C. Freysoldt , J. Neugebauer , R. Bittl , C. Teutloff

We report on terahertz (THz) electron paramagnetic resonance generalized spectroscopic ellipsometry (THz-EPR-GSE). Measurements of the field and frequency dependencies of the magnetic response due to the spin transitions associated with the…

Electron paramagnetic resonance (EPR) can provide unique insight into the chemical structure and magnetic properties of dopants in oxide and semiconducting materials that are of interest for applications in electronics, catalysis, and…

High-frequency electron paramagnetic resonance (EPR) studies of the antiferromagnetic Mn-$[3\times 3]$ molecular grid clearly reveal a breaking of the $\Delta S = 0$ selection rule, providing direct evidence for the mixing of spin…

Other Condensed Matter · Physics 2009-11-13 S. Datta , O. Waldmann , A. D. Kent , V. A. Milway , L. K. Thompson , S. Hill

We demonstrate electron spin polarization detection and electron paramagnetic resonance (EPR) spectroscopy using a direct current superconducting quantum interference device (dc-SQUID) magnetometer. Our target electron spin ensemble is…

Mesoscale and Nanoscale Physics · Physics 2024-06-24 Hiraku Toida , Yuichiro Matsuzaki , Kosuke Kakuyanagi , Xiaobo Zhu , William J. Munro , Kae Nemoto , Hiroshi Yamaguchi , Shiro Saito

Although the role of the electron paramagnetic resonance (EPR) g-tensor and hyperfine coupling tensor in the EPR effective spin Hamiltonian is discussed extensively in many textbooks, certain aspects of the theory are missing. In this text…

Quantum Physics · Physics 2023-05-12 Stanislav Komorovsky

We study theoretically the renormalization of the spin-orbit coupling constant of two-dimensional electrons by electron-electron interactions. We demonstrate that, similarly to the $g$ factor, the renormalization corresponds to the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Guang-Hong Chen , M. E. Raikh

Some magnets due to particular geometry of the exchange bonds do not undergo transition to the conventional magnetically ordered state despite of the presence of significant exchange couplings. Instead, a collective paramagnetic state is…

Strongly Correlated Electrons · Physics 2020-11-06 V. N. Glazkov

X- and Q-band electron paramagnetic resonance (EPR) study is reported on the SrTiO3 single crystals doped with 0.5-at.% MnO. EPR spectra originating from the S = 2 ground state of Mn3+ ions are shown to belong to the three distinct types of…

Materials Science · Physics 2015-06-03 D. V. Azamat , A. Dejneka , J. Lancok , V. A. Trepakov , L. Jastrabik , A. G. Badalyan

The electron paramagnetic resonance (EPR) linewidths of B acceptors in Si are found to reduce dramatically in isotopically purified 28Si single crystals. Moreover, extremely narrow substructures in the EPR spectra are visible corresponding…

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