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Register a new userTuning of charge density wave transitions in LaAu$_x$Sb$_2$ by pressure and Au-stoichiometry
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Two charge density wave transition can be detected in LaAu$_x$Sb$_2$ at ~ 110 and ~ 90 K by careful electrical transport measurements. Whereas control of the Au site occupancy in LaAu$_x$Sb$_2$ (for 0.9 < x < 1.0) can suppress each of these transitions by ~ 80 K, the application of hydrostatic pressure can completely suppress the lower transition by ~ 10 kbar and the upper transition by ~ 17 kbar. Clear anomalies in the resistance as well as the magnetoresistance are observed to coincide with the pressures at which the charge density wave transitions are driven to zero.
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We report temperature dependent measurements of ambient pressure specific heat, magnetic susceptibility, anisotropic resistivity and thermal expansion as well as in-plane resistivity under pressure up to 20.8 kbar on single crystals of EuAg$_4$As$_2$. Based on thermal expansion and in-plane electrical transport measurements at ambient pressure this compound has two, first order, structural transitions in 80 - 120 K temperature range. Ambient pressure specific heat, magnetization and thermal expansion measurements show a cascade of up to seven transitions between 8 and 16 K associated with the ordering of the Eu$^{2+}$ moments. In-plane electrical transport is able to detect more prominent of these transitions: at 15.5, 9.9, and 8.7 K as well as a weak feature at 11.8 K at ambient pressure. Pressure dependent electrical transport data show that the magnetic transitions shift to higher temperatures under pressure, as does the upper structural transition, whereas the lower structural transition is suppressed and ultimately vanishes. A jump in resistivity, associated with the upper structural transition, decreases under pressure with an extrapolated disappearance (or a change of sign) by 30-35 kbar. In the 10 - 15 kbar range a kink in the pressure dependence of the upper structural transition temperature as well as the high and low temperature in-plane resistivities suggest that a change in the electronic structure may occur in this pressure range. The results are compared with the literature data for SrAg$_4$As$_2$.
Using first-principles calculations, we identify the origin of the observed charge density wave (CDW) formation in a layered kagome metal CsV$_3$Sb$_5$. It is revealed that the structural distortion of kagome lattice forming the trimeric and hexameric V atoms is accompanied by the stabilization of quasimolecular states, which gives rise to the opening of CDW gaps for the V-derived multibands lying around the Fermi level. This Jahn-Teller-like instability having the local lattice distortion and its derived quasimolecular states is a driving force of the CDW order. Specifically, the saddle points of multiple Dirac bands near the Fermi level, located at the $M$ point, are hybridized to disappear along the $k_z$ direction, therefore not supporting the widely accepted Peierls-like electronic instability due to Fermi surface nesting. It is further demonstrated that applied hydrostatic pressure significantly reduces the interlayer spacing to destabilize the quasimolecular states, leading to a disappearance of the CDW phase at a pressure of ${sim}$2 GPa. The presently proposed underlying mechanism of the CDW order in CsV$_3$Sb$_5$ can also be applicable to other isostructural kagome lattices such as KV$_3$Sb$_5$ and RbV$_3$Sb$_5$.
I search for the ground state structures of the kagome metals KV$_3$Sb$_5$, RbV$_3$Sb$_5$, and CsV$_3$Sb$_5$ using first principles calculations. Group-theoretical analysis shows that there are seventeen different distortions that are possible due to the phonon instabilities at the $M$ $(frac{1}{2},0,0)$ and $L$ $(frac{1}{2},0,frac{1}{2})$ points in the Brilouin zone of the parent $P6/mmm$ phase of these materials. I generated these structures for the three compounds and performed full structural relaxations that minimize the atomic forces and lattice stresses. I find that the $Fmmm$ phase with the order parameter $M_1^+$ $(a,0,0)$ $+$ $L_2^-$ $(0,b,b)$ has the lowest energy among these possibilities in all three compounds. However, the $Fmmm$ exhibits a dynamical instability at its $Z$ $(0,0,1)$ point, which corresponds to the $A$ $(0,0,frac{1}{2})$ point in the parent $P6/mmm$ phase. Condensation of this instability leads to a base-centered orthorhombic structure with the space group $Cmcm$ and $4Q$ order parameter $M_1^+$ $(a,0,0)$ $+$ $L_2^-$ $(0,b,b)$ $+$ $A_6^+$ $(frac{1}{2}c,frac{-sqrt{3}}{2}c)$.
The transition metal dichalcogenide $1T$-TiSe$_2$ is a quasi-two-dimensional layered material with a phase transition towards a commensurate charge density wave (CDW) at a critical temperature T$_{c}approx 200$K. The relationship between the origin of the CDW instability and the semimetallic or semiconducting character of the normal state, i.e., with the non-reconstructed Fermi surface topology, remains elusive. By combining angle-resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy (STM), and density functional theory (DFT) calculations, we investigate $1T$-TiSe$_{2-x}$S$_x$ single crystals. Using STM, we first show that the long-range phase coherent CDW state is stable against S substitutions with concentrations at least up to $x=0.34$. The ARPES measurements then reveal a slow but continuous decrease of the overlap between the electron and hole ($e$-$h$) bands of the semimetallic normal-state well reproduced by DFT and related to slight reductions of both the CDW order parameter and $T_c$. Our DFT calculations further predict a semimetal-to-semiconductor transition of the normal state at a higher critical S concentration of $x_c$=0.9 $pm$0.1, that coincides with a melted CDW state in TiSeS as measured with STM. Finally, we rationalize the $x$-dependence of the $e$-$h$ band overlap in terms of isovalent substitution-induced competing chemical pressure and charge localization effects. Our study highlights the key role of the $e$-$h$ band overlap for the CDW instability.
We identify the phase boundary between spiral spin and ferromagnetic phases in Au$_2$Mn at a critical pressure of 16.4 kbar, as determined by neutron diffraction, magnetization and magnetoresistance measurements. The temperature-dependent critical field at a given pressure is accompanied by a peak in magnetoresistance and a step in magnetization. The critical field decreases with increasing temperature and pressure. The critical pressure separating the spiral phase and ferromagnetism coincides with the disappearance of the magnetroresistance peak, where the critical field goes to zero. The notable absence of an anomalous Hall effect in the the ferromagnetic phase is attributable to the high conductivity of this material.
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