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We report a systematic study of low energy metastable states in van der Waals semimetals TiS2, TiSe2 and TiTe2 within the DFT theory by means the evolutionary search algorithm. We find a big difference between TiSe2, TiS2 and TiTe2 in low energy metastable states. While several metastable states exist in TiSe2 and TiS2, no low energy metastable states were found in TiTe2. We show that some of the obtained metastable states can be identified as charge density wave (CDW). We argue that existence of the low energy metastable phases indicates that emergence CDW as a ground state in these compounds., Comment: 13 pages, 5 figures

We present an exactly solvable model of equal spin $s_1$ dimer single molecule magnets. The spins within each dimer interact via the Heisenberg and the most general quadratic global and local (single-ion) anisotropic spin interactions, and with the magnetic induction ${\bf B}$. For antiferromagnetic couplings and $s_1>1/2$, the low temperature $T$ magnetization ${\bm M}({\bm B})$ exhibits $2s_1$ steps of universal height and midpoint slope, the $s$th step of which occurs at the non-universal level-crossing magnetic induction $B_{s,s_1}^{\rm lc}(\theta,\phi)$, where $\theta,\phi$ define the direction of ${\bm B}$. The specific heat $C_V$ exhibits zeroes as $T\to0$ at these $B_{s,s_1}^{\rm lc}(\theta,\phi)$ values, which are equally surrounded by universal peak pairs as $T\to0$. The non-universal $B_{s,s_1}^{\rm lc}(\theta,\phi)$ values lead to a rich variety of magnetization plateau behavior, the structure and anisotropy of which depend upon the various global and local anisotropic spin interaction energies. We solve the model exactly for $s_1=1/2$, 1, and 5/2, and present ${\bm M}({\bm B})$ and $C_V({\bm B})$ curves at low $T$ for these cases. For weakly anisotropic dimers, rather simple analytic formulas for ${\bm M}({\bm B})$ and $C_V({\bm B})$ at arbitrary $s_1$ accurately fit the exact solutions at sufficiently low $T$ or large $B$. An expression for $B_{s,s_1}^{\rm lc}(\theta,\phi)$ accurate to second order in the four independent anisotropy energies is derived. Our results are discussed with regard to existing experiments on $s_1=5/2$ Fe$_2$ dimers, suggesting further experiments on single crystals of these and some $s_1=9/2$ Mn$_4$]$_2$ dimers are warranted., Comment: 22 pages, 26 figures, submitted to PRR