David J. Singh

Research interests

Publications

• Room-temperature intrinsic ferromagnetism in epitaxial CrTe2 ultrathin films

  Nature Communications · 2021 · 10.1038/s41467-021-22777-x

• Coordination Number Regulation of Molybdenum Single-Atom Nanozyme Peroxidase-like Specificity

  Chem · 2020 · 10.1016/j.chempr.2020.10.023

• Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions

  Advanced Functional Materials · 2019 · https://doi.org/10.1002/adfm.201900677

• Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance

  Nature Communications · 2019 · 10.1038/s41467-018-08223-5

• Giant optical anisotropy in a quasi-one-dimensional crystal

  Nature Photonics · 2018 · 10.1038/s41566-018-0189-1

• Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency

  Nature Communications · 2018 · 10.1038/s41467-018-04958-3

• Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties

  Energy & Environmental Science · 2017 · 10.1039/c7ee00098g

• Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg 3 Sb 2 -based materials

  Proceedings of the National Academy of Sciences · 2017 · 10.1073/pnas.1711725114

• On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

  npj Computational Materials · 2016 · 10.1038/npjcompumats.2015.15

• Light scattering and surface plasmons on small spherical particles

  Light Science & Applications · 2014 · 10.1038/lsa.2014.60

• Giant anharmonic phonon scattering in PbTe

  Nature Materials · 2011 · 10.1038/nmat3035

• Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional

  Physical Review B · 2010 · 10.1103/physrevb.82.205102

• Unconventional Superconductivity with a Sign Reversal in the Order Parameter of LaFeAsO 1 − x F x

  Physical Review Letters · 2008 · https://doi.org/10.1103/physrevlett.101.057003

• Superconductivity at 22 K in Co-Doped BaFe2As2 Crystals

  Physical Review Letters · 2008 · 10.1103/physrevlett.101.117004

• Electronic structure of the iron-based superconductor LaOFeP

  Nature · 2008 · 10.1038/nature07263

• Planewaves, Pseudopotentials and the LAPW Method

  Journal · 2006 · https://doi.org/10.1007/978-0-387-29684-5

• BoltzTraP. A code for calculating band-structure dependent quantities

  Computer Physics Communications · 2006 · https://doi.org/10.1016/j.cpc.2006.03.007

• An alternative way of linearizing the augmented plane-wave method

  Solid State Communications · 2000 · 10.1016/s0038-1098(99)00577-3

• Electronic structure of NaCo2O4

  Physical review. B, Condensed matter · 2000 · 10.1103/physrevb.61.13397

• Electronic structure and magnetism in Ru-based perovskites

  Physical review. B, Condensed matter · 1997 · 10.1103/physrevb.56.2556

• Ferromagnetic Spin Fluctuation Induced Superconductivity in Sr2RuO4

  Physical Review Letters · 1997 · 10.1103/physrevlett.79.733

• Electronic structure and half-metallic transport in the La1−x Cax MnO3 system

  Physical review. B, Condensed matter · 1996 · 10.1103/physrevb.53.1146

• Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

  Physical review. B, Condensed matter · 1992 · https://doi.org/10.1103/physrevb.46.6671

• All-electron and pseudopotential force calculations using the linearized-augmented-plane-wave method

  Physical review. B, Condensed matter · 1991 · 10.1103/physrevb.43.6411

• Ground-state properties of lanthanum: Treatment of extended-core states

  Physical review. B, Condensed matter · 1991 · 10.1103/physrevb.43.6388

Current projects

No projects listed.