Related papers: Experimental evidence for the coupling of Li-motio…
Spin-wave dispersions in the antiferromagnetic state of single crystal LiFePO$_4$ were determined by inelastic neutron scattering measurements. The dispersion curves measured from the (010) reflection along both {\it a}$^\ast$ and {\it…
V$_{2}$O$_{5}$ in its $\omega$ phase (Li$_{3}$V$_{2}$O$_{5}$) with excess lithium is a potential alternative to the graphite anode for lithium-ion batteries at low temperature and fast charging conditions due to its safer voltage (0.6 V vs…
We report detailed magnetometry and high-frequency electron spin resonance (HF-ESR) measurements which allow detailed investigation on Li-Fe antisite disorder in single-crystalline LiFePO$_4$, i.e., exchange of Fe$^{2+}$- and Li$^+$-ions.…
Lithium transition metal phospho-olivines are useful electrode materials, owing to their stability, high safety, low cost and cyclability. We report phonon studies using neutron inelastic scattering experiments, ab-initio density functional…
Investigation of the electronic and spin structure in double perovskites is recently attracting significant attention, mainly driven by their unique multifunctional properties and other underlying charge and spin dynamics. Herein, using…
LiFePO$_4$ (LFPO) is an archetypical and well-known cathode material for rechargeable Li-ion batteries. However, its quasi-one-dimensional (Q1D) structure along with the Fe ions, LFPO also displays interesting low-temperature magnetic…
The structural distortion and magnetoelastic coupling induced through commensurate magnetism has been investigated by neutron diffraction in structurally related MnWO$_4$ and NaFe(WO$_4$)$_2$. Both systems exhibit a competition of…
I study the structural and magnetic instabilities in LaNiO$_3$ using density functional theory calculations. From the non-spin-polarized structural relaxations, I find that several structures with different Glazer tilts lie close in energy.…
Inelastic neutron scattering (INS) experiments were performed to investigate the spin dynamics in magnetoelectric effect (ME) LiCoPO$_4$ single crystals. Weak dispersion was detected in the magnetic excitation spectra along the three…
We report on the spin waves and crystal field excitations in single crystal LiFePO$_4$ by inelastic neutron scattering over a wide range of temperatures, below and above the antiferromagnetic transition of this system. In particular, we…
A flop of electric polarization from $P$$\parallel$$c$ ($P_c$) to $P$$\parallel$$a$ ($P_a$) is observed in MnTiO$_3$ as a spin flop transition is triggered by a $c$-axis magnetic field, $H_{\|c}$=7 T. The critical magnetic field $H_{\|c}$…
The spinel-structured lithium manganese oxide (LiMn$_2$O$_4$) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of…
We present a systematic study of the variations of the ^{7}Li NMR properties versus magnetic defect concentration up to 0.83 mol% within the spinel structure of polycrystalline powder samples and a collection of small single crystals of…
We use neutron scattering to study the influence of a magnetic field on spin structures of Nd$_2$CuO$_4$. On cooling from room temperature, Nd$_2$CuO$_4$ goes through a series of antiferromagnetic (AF) phase transitions with different…
Strong spin-lattice coupling and prominent frustration effects observed in the 50$\%$ Fe-doped frustrated hexagonal ($h$)LuMnO$_3$ are reported. A N\'{e}el transition at $T_{\mathrm N} \approx$ 112~K and a possible spin re-orientation…
We study the electronic and magnetic structures of multiferroic CaMn$_7$O$_{12}$ by first-principle calculations, based on the experimentally determined modulated crystal structure. We confirm the presence of a 3$d$ orbital modulation of…
Despite decades of study, the identity of the dominant \ce{Li+}-conducting phase within the inorganic SEI of Li-ion batteries remains unresolved. While the mosaic model describes LiF/\ce{Li2O}/\ce{Li2CO3} nanocrystallites within a…
Lithium ion batteries often contain transition metal oxides like Li$_{x}$Mn$_2$O$_4$ ($0\leq x\leq2$). Depending on the Li content different ratios of Mn$^\text{III}$ to Mn$^\text{IV}$ ions are present. In combination with electron hopping…
Li-based phosphates are paradigmatic materials for magnetoelectricity. By means of first-principles calculations, we elucidate the microscopic origin of spin anisotropy and of magnetoelectric effects in LiNiPO4. The comparison with LiCoPO4…
We report on NMR studies of the quasi--1D antiferromagnetic $S=1/2$ chain cuprate LiCuVO$_4$, focusing on the high--field spin--modulated phase observed recently in applied magnetic fields $H > H_{\rm c2}$ ($\mu_0H_{\rm c2} \approx 7.5$ T).…