arXiv subjects

Vaideesh Loganathan

Publications and source records attributed to Vaideesh Loganathan.

6 recordsLinked to original sources

arXiv2022

Nonsymmorphic Symmetry-Protected Band Crossings in a Square-Net Metal PtPb$_4$

Topological semimetals with symmetry-protected band crossings have emerged as a rich landscape to explore intriguing electronic phenomena. Nonsymmorphic symmetries in particular have been shown to play an important role in protecting the crossings along a line (rather than a point) in momentum space. Here we report experimental and theoretical evidence for Dirac nodal line crossings along the Brillouin zone boundaries in PtPb$_4$, arising from the nonsymmorphic symmetry of its crystal structure. Interestingly, while the nodal lines would remain gapless in the absence of spin-orbit coupling (SOC), the SOC in this case plays a detrimental role to topology by lifting the band degeneracy everywhere except at a set of isolated points. Nevertheless, the nodal line is observed to have a bandwidth much smaller than that found in density functional theory (DFT). Our findings reveal PtPb$_4$ to be a material system with narrow crossings approximately protected by non-symmorhpic crystalline symmetries.

cond-mat.mtrl-sci↗

arXiv2020

Field-induced quantum critical point in the new itinerant antiferromagnet Ti$_3$Cu$_4$

New phases of matter emerge at the edge of magnetic instabilities. In local moment systems, such as heavy fermions, the magnetism can be destabilized by pressure, chemical doping, and, rarely, by magnetic field, towards a zero-temperature transition at a quantum critical point (QCP). Even more rare are instances of QCPs induced by pressure or doping in itinerant moment systems, with no known examples of analogous field-induced \textit{T} = 0 transitions. Here we report the discovery of a new itinerant antiferromagnet with no magnetic constituents, in single crystals of Ti$_3$Cu$_4$ with $T_N$ = 11.3 K. Band structure calculations point to an orbital-selective, spin density wave ground state, a consequence of the square net structural motif in Ti$_3$Cu$_4$. A small magnetic field, $H_C$ = 4.87 T, suppresses the long-range order via a continuous second-order transition, resulting in a field-induced QCP. The magnetic Gr\"uneisen ratio diverges as $H \rightarrow H_C$ and $T\rightarrow0$, with a sign change at $H_C$ and $T^{-1}$ scaling at $H~=~H_C$, providing evidence from thermodynamic measurements for quantum criticality for $H \parallel c$. Non-Fermi liquid (NFL) to Fermi liquid (FL) crossover is observed close to the QCP, as revealed by the power law behavior of the electrical resistivity.

cond-mat.str-el↗

arXiv2019

Noncollinear Antiferromagnetic Order and Effect of Spin-Orbit Coupling in Spin-1 Honeycomb Lattice

Motivated by the recently synthesized insulating nickelate Ni$_2$Mo$_3$O$_8$, which has been reported to have an unusual non-collinear magnetic order of Ni$^{2+}$ $S=1$ moments with a nontrivial angle between adjacent spins, we construct an effective spin-1 model on the honeycomb lattice, with the exchange parameters determined with the help of first principles electronic structure calculations. The resulting bilinear-biquadratic model, supplemented with the realistic crystal-field induced anisotropy, favors the collinear N\'eel state. We find that the crucial key to explaining the observed noncollinear spin structure is the inclusion of the Dzyaloshinskii--Moriya (DM) interaction between the neighboring spins. By performing the variational mean-field and linear spin-wave theory (LSWT) calculations, we determine that a realistic value of the DM interaction $D\approx 2.78$ meV is sufficient to quantitatively explain the observed angle between the neighboring spins. We furthermore compute the spectrum of magnetic excitations within the LSWT and random-phase approximation (RPA) which should be compared to future inelastic neutron measurements.

cond-mat.str-el↗

arXiv2017

From Half-metal to Semiconductor: Electron-correlation Effects in Zigzag SiC Nanoribbons From First Principles

We performed electronic structure calculations based on the first-principles many-body theory approach in order to study quasiparticle band gaps, and optical absorption spectra of hydrogen-passivated zigzag SiC nanoribbons. Self-energy corrections are included using the GW approximation, and excitonic effects are included using the Bethe-Salpeter equation. We have systematically studied nanoribbons that have widths between 0.6 $\text{nm}$ and 2.2 $\text{nm}$. Quasiparticle corrections widened the Kohn-Sham band gaps because of enhanced interaction effects, caused by reduced dimensionality. Zigzag SiC nanoribbons with widths larger than 1 nm, exhibit half-metallicity at the mean-field level. The self-energy corrections increased band gaps substantially, thereby transforming the half-metallic zigzag SiC nanoribbons, to narrow gap spin-polarized semiconductors. Optical absorption spectra of these nanoribbons get dramatically modified upon inclusion of electron-hole interactions, and the narrowest ribbon exhibits strongly bound excitons, with binding energy of 2.1 eV. Thus, the narrowest zigzag SiC nanoribbon has the potential to be used in optoelectronic devices operating in the IR region of the spectrum, while the broader ones, exhibiting spin polarization, can be utilized in spintronic applications.

cond-mat.mes-hall↗

arXiv2016

Large magnetic anisotropy in Fe_{0.25}TaS_2

We present a first-principles study of the large magneto-crystalline anisotropy in the intercalated di-chalcogenide material \ce{Fe_{0.25}TaS_2}, investigated with the DFT+U approach. We verify a uniaxial magnetocrystalline anisotropy energy(MAE) of 15meV/Fe. in the material. We further analyze the dependence of MAE on the constituent elements and the effect of spin-orbit coupling. Contrary to conventional intuition, we find a small contribution to MAE due to strong spin-orbit coupling in the heavier element, Ta. We show that the electronic configuration, crystal field environment and correlational effects of the magnetic ion are more important.

cond-mat.str-el↗

arXiv2016

First principles many-body calculations of electronic structure and optical properties of SiC nanoribbons

A first principles many-body approach is employed to calculate the band structure and optical response of nanometer sized ribbons of SiC. Many-body effects are incorporated using the GW approximation, and excitonic effects are included using the Bethe-Salpeter equation. Both unpassivated and hydrogen passivated armchair SiC nanoribbons are studied. As a consequence of low dimensionality, large quasiparticle corrections are seen to the Kohn-Sham energy gaps. In both cases quasiparticle band gaps are increased by up to 2 eV, as compared to their Kohn-Sham energy values. Inclusion of electron-hole interactions modifies the absorption spectra significantly, giving rise to strongly bound excitonic peaks in these systems.The results suggest that hydrogen-passivated armchair SiC nanoribbons have the potential to be used in optoelectronic devices operating in the UV-Vis region of the spectrum. We also compute the formation energies of these nanoribbons as a function of their widths, and conclude that hydrogen-saturated ribbons will be much more stable as compared to the bare ones.

cond-mat.mtrl-sci↗