73 citations · 325 across the 14 of their papers we have counts for
14 papers
Colossal anomalous Hall and Nernst effect from the breaking of nodal-line symmetry in Cu2CoSn Weyl semimetal: A first-principles study
Gaurav K. Shukla, Ujjawal Modanwal, Sanjay Singh
The presence of topological band crossings near the Fermi energy is essential for the realization of large anomalous transport properties in the materials. The topological semimeta…
Anti-site disorder and Berry curvature driven anomalous Hall effect in spin gapless semiconducting Mn2CoAl Heusler compound
Nisha Shahi, Ajit K. Jena, Gaurav K. Shukla +9
Spin gapless semiconductors exhibit a finite band gap for one spin channel and closed gap for other spin channel, emerged as a new state of magnetic materials with a great potentia…
The postperovskite transition in Fe- and Al-bearing bridgmanite: effects on seismic observables
Juan J. Valencia-Cardona, Renata M. Wentzcovitch, Jingyi Zhuang +2
The primary phase of the Earth's lower mantle, (Al, Fe)-bearing bridgmanite, transitions to the postperovskite (PPv) phase at Earth's deep mantle conditions. Despite extensive expe…
Band splitting induced Berry flux and intrinsic anomalous Hall conductivity in NiCoMnGa quaternary Heusler compound
Gaurav K. Shukla, Jyotirmay Sau, Vishal Kumar +2
The anomalous transport properties of Heusler compounds become a hotspot of research in recent years due to their unique band structure and possible application in spintronics. In…
Pressure induced emission enhancement and bandgap narrowing: experimental investigations and first principles theoretical simulations on a model halide perovskite
Debabrata Samanta, Sonu Pratap Chaudhary, Bishnupada Ghosh +3
We report high-pressure photoluminescence, Raman scattering, and x-ray diffraction measurements on a lead-free halide perovskite . At about 3 GPa, an electronic trans…
Anomalous Hall effect from gapped nodal line in Co2FeGe Heusler compound
Gaurav K. Shukla, Jyotirmay Sau, Nisha Shahi +3
Full Heusler compounds with Cobalt as a primary element show anomalous transport properties owing to the Weyl fermions and broken time-reversal symmetry. We present here the study…
Role of chemical disorder in tuning the Weyl points in vanadium doped CoTiSn
Payal Chaudhary, Krishna Kant Dubey, Gaurav K. Shukla +8
The lack of time-reversal symmetry and Weyl fermions give exotic transport properties to Co-based Heusler alloys. In the present study, we have investigated the role of chemical di…
cij: A Python code for quasiharmonic thermoelasticity
Chenxing Luo, Xin Deng, Wenzhong Wang +3
The Wu-Wentzcovitch semi-analytical method (SAM) is a concise and predictive formalism to calculate the high-pressure and high-temperature (high-PT) thermoelastic tensor (Cij) of c…
Bullen's parameter as a seismic observable for spin crossovers in the lower mantle
Juan J. Valencia-Cardona, Quentin Williams, Gaurav Shukla +1
Elastic anomalies produced by the spin crossover in ferropericlase have been documented by both first principles calculations and high pressure-temperature experiments. The predict…
Influence of the iron spin crossover in ferropericlase on the lower mantle geotherm
Juan J. Valencia-Cardona, Gaurav Shukla, Zhongqing Wu +3
The iron spin crossover in ferropericlase introduces anomalies in its thermodynamics and thermoelastic properties. Here we investigate how these anomalies can affect the lower mant…
Spin crossover in (Mg,Fe)(Si,Fe)O bridgmanite: effects of disorder, iron concentration, and temperature
Gaurav Shukla, Renata M. Wentzcovitch
The spin crossover of iron in Fe-bearing bridgmanite, the most abundant mineral of the Earth's lower mantle, is by now a well-established phenomenon, though several aspects…
Thermoelasticity of Fe- and Al-bearing bridgmanite
Gaurav Shukla, Matteo Cococcioni, Renata M. Wentzcovitch
We report \textit{ab initio} (LDA + U) calculations of thermoelastic properties of ferric iron (Fe)- and aluminum (Al)-bearing bridgmanite (MgSiO perovskite), the…
Iron spin crossover and its influence on post-perovskite transitions in MgSiO and MgGeO
Gaurav Shukla, Mehmet Topsakal, Renata M. Wentzcovitch
MgGeO-perovskite is known to be a low-pressure analog of MgSiO-perovskite in many respects, but especially in regard to the post-perovskite transition. As such, investigati…
Thermoelasticity of Fe2+-bearing bridgmanite
Gaurav Shukla, Zhongqing Wu, Han Hsu +3
We present LDA+U calculations of high temperature elastic properties of bridgmanite with composition (MgFe)SiO for . Results of elastic mo…