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Nickel oxide (NiO) has been studied extensively for various applications ranging from electrochemistry to solar cells [1,2]. In recent years, NiO attracted much attention as an antiferromagnetic (AF) insulator material for spintronic devices [3-10]. Understanding the spin - phonon coupling in NiO is a key to its functionalization, and enabling AF spintronics promise of ultra-high-speed and low-power dissipation [11,12]. However, despite its status as an exemplary AF insulator and a benchmark material for the study of correlated electron systems, little is known about the spin - phonon interaction, and the associated energy dissipation channel, in NiO. In addition, there is a long-standing controversy over the large discrepancies between the experimental and theoretical values for the electron, phonon, and magnon energies in NiO [13-23]. This gap in knowledge is explained by NiO optical selection rules, high Neel temperature and dominance of the magnon band in the visible Raman spectrum, which precludes a conventional approach for investigating such interaction. Here we show that by using ultraviolet (UV) Raman spectroscopy one can extract the spin - phonon coupling coefficients in NiO. We established that unlike in other materials, the spins of Ni atoms interact more strongly with the longitudinal optical (LO) phonons than with the transverse optical (TO) phonons, and produce opposite effects on the phonon energies. The peculiarities of the spin - phonon coupling are consistent with the trends given by density functional theory calculations. The obtained results shed light on the nature of the spin - phonon coupling in AF insulators and may help in developing innovative spintronic devices.
Spin-orbit coupling (SOC) is essential in understanding the properties of 5d transition metal compounds, whose SOC value is large and almost comparable to other key parameters. Over the past few years, there have been numerous studies on the SOC-driv
We describe the ground- and excited-state electronic structure of bulk MnO and NiO, two prototypical correlated electron materials, using coupled cluster theory with single and double excitations (CCSD). As a corollary, this work also reports the fir
We perform systematic first-principles calculations to investigate the spin-phonon coupling (SPC) of Cr2Ge2Te6 (CGT) monolayer (ML). It is found that the Eg phonon mode at 211.8 cm^{-1} may have a SPC as large as 3.19 cm^{-1}, as it directly alters t
We report an experimental and theoretical analysis of the sqrt(3)x sqrt(3)-R30 and 2x2 reconstructions on the NiO (111) surface combining transmission electron microscopy, x-ray photoelectron spectroscopy, and reasonably accurate density functional c
The physics of mutual interaction of phonon quasiparticles with electronic spin degrees of freedom, leading to unusual transport phenomena of spin and heat, has been a subject of continuing interests for decades. Understanding phonon properties in th