Singh, David J - University of Missouri - Department of Physics and Astronomy

研究领域

We use theoretical methods including first principles calculations, transport theory and phenomenology to understand and predict properties of matter. We are actively studying thermoelectric, superconducting and magnetic materials as well as materials for radiation detection. We are developing methods for investigation of thermal and other properties.

近期论文

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G. Qin, W. Ren, D.J. Singh and B.H. Lei, "Disorder and Itinerant Magnetism in Full Heusler Pd2TiIn", Chin. Phys. Lett. 38, 017102 (2021). J. Liu, X. Fan, C. Gu, Y. Shi, D.J. Singh and W. Zheng, "Effect of voids on nanocrystalline gold ultrathin film", Comput. Mater. Sci. 189, 110255 (2021). X. Li, Z. Zhang, J. Xi, D.J. Singh, Y. Sheng, J. Yang and W. Zhang, "TransOpt. A code to solve electrical transport properties of semiconductors in constant electron-phonon coupling approximation", Comput. Mater. Sci. 186, 110074 (2021). K. Li, X. Fan, D.J. Singh and W.T. Zheng, "Search for potential K ion battery cathodes by first principles", J. Energy Chem. 54, 377 (2021). G. Xing, Y. Li, Z. Feng, D.J. Singh and F. Pauly, "Copper(1)-based flexible organic-inorganic coordination polymer and analogues: high power factor thermoelectrics", ACS Appl. Mater. Interfaces 12, 53841 (2020). B.H. Lei, S. Pan, Z. Yang, C. Cao and D.J. Singh, "Second harmonic generation susceptibilities from symmetry adapted Wannier functions", Phys. Rev. Lett. 125, 187402 (2020). S. Mukhopadhyay, D.J. Singh and T.L. Reinecke, "Ultralow thermal conductivity in Cs-Sb-Se compounds: lattice instability versus lone-pair electrons", Chem. Mater. 32, 8906 (2020). J. Neu, D. Graf, K. Wei, A. Gaiser, Y. Xin, Y. Lai, T.E. Albrecht-Schmitt, R. Baumbach, D.J. Singh and T. Siegrist, "Superstructures and superconductivity linking with Pd intercalation in Nb2PdxSe5", Chem. Mater. 32, 8361 (2020). P.F. Liu, J. Li, X.H. Tu, H. Yin, B. Sa, J. Zhang, D.J. Singh and B.T. Wang, "Prediction of superconductivity and topological aspects in single-layer beta-Bi2Pd", Phys. Rev. B 102, 155406 (2020). J. Song, G. Fei, X. Liu, S. Duan, B. Yang, X. Chen, D.J. Singh, Y. Liu, L. Yang, J. Guo and P. Zhang, "Pressure-driven significant phonon mode softening and robust superconductivity in layered germanium phosphide", J. Mater. Chem. A 8, 20054 (2020). J. Liu, X. Fan, Y. Shi, D.J. Singh and W. Zheng, "The effect of strain rate on the deformation processes of NC gold with small grain size", Crystals 10, 858 (2020). Y. Zhang, W. Zhang and D.J. Singh, "Localization in the SCAN meta-generalized gradient approximation functional leading to broken symmetry ground states for graphene and benzene", Phys. Chem. Chem. Phys. 22, 19585 (2020). U. Saparamadu, X. Tan, J. Sun, Z. Ren, S. Song, D.J. Singh, J. Shuai and Z. Ren, "Achieving high-performance p-type SmMg2Bi2 thermoelectric materials through band engineering and alloying effects", J. Mater. Chem C 8, 15760 (2020). J. Liu, X. Fan, W. Zheng, D.J. Singh and Y. Shi, "Nanocrystalline gold with small size: inverse Hall-Petch between mixed regime and super-soft regime", Phil. Mag. 100, 2335 (2020). X. Li, Y. Sheng, L. Wu, S. Hu, J. Yang, D.J. Singh, J. Yang and W. Zhang, "Defect-mediated Rashba engineering for optimizing electrical transport in thermoelectric BiTeI", npj Comput. Mater. 6, 107 (2020). A. Putatunda, G. Qin, W. Ren and D.J. Singh, "Competing magnetic orders in quantum critical Sr3Ru3O7", Phys. Rev. B 102, 014442 (2020). H. Liu, H. Wu, K.P. Ong, T. Yang, P. Yang, P.K. Das, X. Chi, Y. Zhang, C. Diao, W.K.A. Wong, E.P. Chew, Y.F. Chen, C.K.I. Tan, A. Rusydi, M.B.H. Breese, D.J. Singh, L.Q. Chen, S.J. Pennycook and K. Yao, "Giant piezoelectricity in oxide thin films with nanopillar structure", Science 369, 292 (2020). H.H. Huang, X. Fan, D.J. Singh and W.T. Zheng, "Thermoelectric properties of monolayer GeAsSe and SnSbTe", J. Mater. Chem. C 8, 9763 (2020). S. Xu, X. Fan, C. Gu, Y. Shi and D.J. Singh, "First principles and molecular dynamics study of Li wetting and diffusion on W surfaces", J. Nucl. Mater. 539, 152345 (2020). X. Chen, S. Duan, W. Yi, D.J. Singh, J. Guo and X. Liu, "Enhanced thermoelectric performance in black phosphorus nanotubes by band modulation through tailoring nanotube chirality", Small 16, 2001820 (2020).