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We present a theoretical study of vibrational and vibronic properties of a point defect in the dilute limit by means of first-principles density functional theory calculations. As an exemplar we choose the negatively charged…

Trigonal solid-state defects are often subjects of spontaneous symmetry breaking driven by the $E\otimes e$ Jahn-Teller effect, reflecting strong electron-phonon coupling. These systems, particularly paramagnetic defect qubits in solids are…

Materials Science · Physics 2025-12-17 Balazs Toth , Adam Gali , Gergo Thiering

Optical detection of single defect centers in the solid state is a key element of novel quantum technologies. This includes the generation of single photons and quantum information processing. Unfortunately the brightness of such atomic…

Dynamical Jahn-Teller (DJT) effect in a spin-orbital coupled system on a honeycomb lattice is examined, motivated from recently observed spin-liquid behavior in Ba$_3$CuSb$_2$O$_9$. An effective vibronic Hamiltonian, where the superexchange…

Strongly Correlated Electrons · Physics 2015-06-11 Joji Nasu , Sumio Ishihara

Compared to isolated C$_{60}^{3-}$ ions, characterized by a threedimensional equipotential trough at the bottom of the lowest adiabatic potential energy surface (APES), the Jahn-Teller (JT) effect in cubic fullerides is additionally…

Strongly Correlated Electrons · Physics 2021-04-21 Zhishuo Huang , Munirah D. Albaqami , Tohru Sato , Naoya Iwahara , Liviu F. Chibotaru

It is demonstrated that under common conditions a molecular solid subject to Jahn-Teller interactions supports stable Q-ball-like non-topological solitons. Such solitons represent a localized lump of excess electric charge in periodic…

Materials Science · Physics 2007-05-23 Dennis P. Clougherty

The Jahn-Teller effect is a fascinating and ubiquitous phenomenon in modern quantum physics and chemistry. We propose a class of oxides with melilite structure Ba$_2$TGe$_2$O$_7$ (T=V,Ni) where Jahn-Teller distortions are the main…

Materials Science · Physics 2015-08-03 Paolo Barone , Kunihiko Yamauchi , Silvia Picozzi

High-pressure infrared transmission measurements on \PhC60 were performed up to 9 GPa over a broad frequency range (200 - 20000 cm$^{-1}$) to monitor the vibrational and electronic/vibronic excitations under pressure. The four fundamental…

Materials Science · Physics 2015-06-04 E. A. Francis , S. Scharinger , K. Németh , K. Kamarás , C. A. Kuntscher

Electrically-active defects have a significant impact on the performance of electronic devices based on wide band-gap materials such as diamond. This issue is ubiquitous in diamond science and technology, since the presence of charge traps…

In the context of ultra-fast quantum communication and random number generation, detection timing-jitters represent a strong limitation as they can introduce major time-tagging errors and affect the quality of time-correlated photon…

Substitutional nitrogen atoms in a diamond crystal (P1 centers) are, on one hand, a resource for creation of nitrogen-vacancy (NV) centers, that have been widely employed as nanoscale quantum sensors. On the other hand, P1's electron spin…

Spin defects in solids offer promising platforms for quantum sensing and memory due to their long coherence times and optical addressability. Here, we integrate a single nitrogen-vacancy (NV) center in diamond with scanning probe microscopy…

It is now well known that electron (hole)-vibron coupling and hence Jahn-Teller (JT) effect is important understanding the properties of $C_{60}$ and related molecules. In this paper, we study $H\otimes (2h\oplus g)$ coupling case to find…

Chemical Physics · Physics 2009-11-11 Ramazan Koc , Hayriye Tutunculer , Mehmet Koca

Interplay of nonlinear and quantum effects in the ground state of the E$\otimes (b_1+b_2)$ Jahn-Teller model was investigated by the {\it variational approach and exact numerical simulations}. They result in the recognition of (i)…

Materials Science · Physics 2007-05-23 Eva Majernikova , S. Shpyrko

Scanning tunneling spectra on single C60 molecules that are sufficiently decoupled from the substrate exhibit a characteristic fine structure, which is explained as due to the dynamic Jahn-Teller effect. Using electron-phonon couplings…

Mesoscale and Nanoscale Physics · Physics 2008-12-01 T. Frederiksen , K. J. Franke , A. Arnau , G. Schulze , J. I. Pascual , N. Lorente

The Jarzynski equality (JE), which connects the equilibrium free energy with non-equilibrium work statistics, plays a crucial role in quantum thermodynamics. Although practical quantum systems are usually multi-level systems, most tests of…

Quantum Physics · Physics 2023-10-26 Wenquan Liu , Zhibo Niu , Wei Cheng , Xin Li , Chang-Kui Duan , Zhangqi Yin , Xing Rong , Jiangfeng Du

Charge-state transitions of a single Cu-phthalocyanine molecule adsorbed on an insulating layer of NaCl on Cu(111) are probed by means of alternate charging scanning tunneling microscopy. Real-space imaging of the electronic transitions…

Nitrogen-vacancy (NV) centers in diamond are widely used in the development of a number of sensors. The sensitivity of these devices is limited by both the number of centers used and their coherent properties. While the effects on the…

We present a new technique for sub-GeV dark matter (DM) searches and a new use of neutrino observatories. DM-electron scattering in an observatory can excite or ionize target molecules, which then produce light that can be detected by the…

High Energy Physics - Phenomenology · Physics 2025-10-21 Rebecca K. Leane , John F. Beacom

In this paper, a carbon nanotube (CNT) based single-ion detector is proposed and its performance is evaluated with atomistic quantum transport models. The sensor can detect any ion type without molecule-specific functionalization and allows…

Applied Physics · Physics 2026-02-03 Namita Narendra , Tillmann Kubis