The wavefunction reconstruction effects in calculation of DM-induced electronic transition in semiconductor targets

The physics of the electronic excitation in semiconductors induced by sub-GeV dark matter (DM) have been extensively discussed in literature, under the framework of the standard plane wave (PW) and pseudopotential calculation scheme. In this paper, we investigate the implication of the all-electron (AE) reconstruction on estimation of the DM-induced electronic transition event rates. As a benchmark study, we first calculate the wavefunctions in silicon and germanium bulk crystals based on both the AE and pseudo (PS) schemes within the projector augmented wave (PAW) framework, and then make comparisons between the calculated excitation event rates obtained from these two approaches. It turns out that in process where large momentum transfer is kinetically allowed, the two calculated event rates can differ by a factor of a few. Such discrepancies are found to stem from the high-momentum components neglected in the PS scheme. It is thus implied that the correction from the AE wavefunction in the core region is necessary for an accurate estimate of the DM-induced transition event rate in semiconductors.Comment: A missing factor $64^{-3/2}=1/512$ associated with the Fourier transformation is added to both the AE and PS event rates in this version. The ratio between the AE and PS event rates is not affecte

Spin-Lattice Coupling Induced Rich Magnetic States in CrF3_3 monolayer

We systematically studied the spin-lattice couplings in the CrF$_3$ monolayer. Our study reveals that the spin exchange constants between the nearest neighbors are notably affected by these couplings. Specifically, the couplings arise predominantly from three distinct phonon modes, namely the covariant, rotation, and stretch of the Cr-F-Cr-F rhombus. By integrating out the phonon degrees of freedom, we derived an effective spin Hamiltonian featuring four-spin product terms, which yields a remarkably intricate magnetic phase diagram. Significantly, numerous plateau states characterized by fractional magnetizations, including 1/2, 1/3, 2/3, 1/4, 1/5, 5/8, 1/9, and 2/9, emerge in the vicinity of the phase transition boundary separating ferromagnetic and antiferromagnetic states. These findings show the profound influence of spin-lattice couplings on magnetic properties near the magnetic phase boundaries, and the predicted plateau states are expected to be observable in future experiments

Topological crystalline antiferromagnetic state in tetragonal FeS

Integration between magnetism and topology is an exotic phenomenon in condensed-matter physics. Here, we propose an exotic phase named topological crystalline antiferromagnetic state, in which antiferromagnetism intrinsically integrates with nontrivial topology, and we suggest such a state can be realized in tetragonal FeS. A combination of first-principles calculations and symmetry analyses shows that the topological crystalline antiferromagnetic state arises from band reconstruction induced by pair checker-board antiferromagnetic order together with band-gap opening induced by intrinsic spin-orbit coupling in tetragonal FeS. The topological crystalline antiferromagnetic state is protected by the product of fractional translation symmetry, mirror symmetry, and time-reversal symmetry, and present some unique features. In contrast to strong topological insulators, the topological robustness is surface-dependent. These findings indicate that non-trivial topological states could emerge in pure antiferromagnetic materials, which sheds new light on potential applications of topological properties in fast-developing antiferromagnetic spintronics.Comment: 8 pages, 6 figure