Kumar, Sudhir and Joshi, Suman and Sharma , Durgesh Kumar and Auluck, Sushil (2020) Influence of defect pairs in Ga-based ordered defect compounds: a hybrid density functional study. Canadian Journal of Physics, 98 (8). pp. 770-777. ISSN 0008-4204

Sharma, Durgesh Kumar and Kumar, Sudhir and Auluck, Sushil (2018) Electronic structure, defect properties, and hydrogen storage capacity of 2H-WS2: A first-principles study. International Journal of Hydrogen Energy, 43 (52). pp. 23126-23134. ISSN 0360-3199

Chen, Yiba and Molokeev, Maxim S. and Atuchin, Victor V. and Reshak, Ali H. and Auluck, Sushil and Alahmed, Zeyad A. and Xia, Zhiguo (2018) Synthesis, Crystal Structure, and Optical Gap of Two-Dimensional Halide Solid Solutions CsPb2 (Cl1-xBrx)(5). Inorganic Chemistry, 57 (15). pp. 9531-9537. ISSN 0020-1669

Sharma, Durgesh Kumar and Kumar, Sudhir and Auluck, Sushil (2018) Magnetism by embedding 3d transition metal atoms into germanene. Journal of Physics D: Applied Physics, 51 (22). pp. 225006-225013. ISSN 0022-3727

Huang, Hongwei and Reshak, Ali H. and Auluck, Sushil and Jin, Shifeng and Tian, Na and Guo, Yuxi and Zhang, Yihe (2018) Visible-Light-Responsive Sillen-Structured Mixed-Cationic CdBiO2Br Nanosheets: Layer Structure Design Promoting Charge Separation and Oxygen Activation Reactions. Journal of Physical Chemistry C, 122 (5). pp. 2661-2672. ISSN 1932-7447

Namsani, Sadanandam and Auluck, Sushil and Singh, Jayant K. (2017) Thermal conductivity of thermoelectric material beta-Cu2Se: Implications on phonon thermal transport. Applied Physics Letters, 111 (16390). ISSN 0003-6951

Namsani, Sadanandam and Gahtori, Bhasker and Auluck, Sushil and Singh, Jayant K. (2017) An interaction potential to study the thermal structure evolution of a thermoelectric material: -Cu2Se. Journal of Computational Chemistry, 38 (25). pp. 2161-2170. ISSN 0192-8651

Reshak, Ali H. and Auluck, Sushil (2017) Photocatalytic water-splitting solar-to-hydrogen energy conversion: Novel LiMoO3(IO3) molybdenyl iodate based on WO3-type sheets. Journal of Catalysis, 351. pp. 1-9. ISSN 0021-9517

Reshak, A. H. and Auluck, Sushil (2016) Influence of an oxygen vacancy on the electronic structure of the asymmetric mixed borate-carbonate Pb7O(OH)(3)(CO3)(3)(BO3). RSC Advances, 6 (23). pp. 18965-18972. ISSN 2046-2069

Reshak, Ali H. and Auluck, Sushil (2014) Linear and nonlinear optical susceptibilities of bilayer graphene. MATERIALS EXPRESS, 4 (6). pp. 508-520.

Roy, Amritendu and Prasad, Rajendra and Auluck, Sushil and Garg, Ashish (2014) Optical anisotropy in bismuth titanate: An experimental and theoretical study. Journal of Applied Physics, 115 (13). ISSN 0021-8979

Tyagi, Kriti and Gahtori, Bhasker and Bathula, Sivaiah and Srivastava, A. K. and Shukla, A. K. and Auluck, Sushil and Dhar, Ajay (2014) Thermoelectric properties of Cu3SbSe3 with intrinsically ultralow lattice thermal conductivity. Journal of Materials Chemistry A, 2 (38). 15829-15835 . ISSN 2050-7488

Mukherjee, Somdutta and Roy, Amritendu and Auluck, Sushil and Prasad, Rajendra and Gupta, Rajeev and Garg, Ashish (2013) Room Temperature Nanoscale Ferroelectricity in Magnetoelectric GaFeO3 Epitaxial Thin Films. Physical Review Letters, 111 (8). 087601-1-087601-5. ISSN 0031-9007

Singh, Poorva and Bala, Anu and Nautiyal, Tashi and Auluck, Sushil (2013) An insight into evolution of electronic, magnetic, optical, and vibrational properties of ultrathin Pd nanowires. Journal of Nanoparticle Research , 15 (1784). 1784-1-1784-15. ISSN 1388-0764

Bala, Anu and Singh, Poorva and Nautiyal, Tashi and Auluck, Sushil (2013) Magnetic CrX and MnX (X = Si, Ge, and As) nanowires: Stability enhancement and linearization. Journal of Alloys and Compounds, 547. pp. 138-146. ISSN 0925-8388

Roy, Amritendu and Mukherjee, Somdutta and Sarkar, Surajit and Auluck, Sushil and Prasad, Rajendra and Gupta, Rajeev and Garg, Ashish (2012) Effects of site disorder, off-stoichiometry and epitaxial strain on the optical properties of magnetoelectric gallium ferrite. Journal of Physics: Condensed Matter, 24 (43). pp. 435501-435510. ISSN 0953-8984

Singh, Poorva and Nautiyal, Tashi and Auluck, Sushil (2012) Electronic and vibrational properties of vanadium-carbide nanowires. Journal of Applied Physics , 112 (6). 063502-063511. ISSN 0021-8979

Singh, Poorva and Nautiyal, Tashi and Auluck, Sushil (2012) Electronic and optical properties of free-standing and supported vanadium nanowires. Journal of Applied Physics , 111 (9). 093506-093515. ISSN 0021-8979

Roy, Amritendu and Prasad, Rajendra and Auluck, Sushil and Garg, Ashish (2012) Effect of site-disorder on magnetism and magneto-structural coupling ingallium ferrite: A first-principles study. Journal of Applied Physics , 111. 043915-1. ISSN 0021-8979

Roy, Amritendu and Prasad, Rajendra and Auluck, Sushil and Garg, Ashish (2012) Erratum: “Effect of site-disorder on magnetism and magneto-structuralcoupling in gallium ferrite: A first-principles study” [J. Appl. Phys. 111,043915 (2012)]. Journal of Applied Physics , 111. 079902-0799903. ISSN 0021-8979

Roy, Amritendu and Mukherjee, Somdutta and Gupta, Rajeev and Auluck, Sushil and Prasad, Rajendra and Garg, Ashish (2011) Electronic structure, Born effective charges and spontaneous polarization in magnetoelectric gallium ferrite. Journal Of Physics: Condensed Matter, 23 (32). 325902 . ISSN 0953-8984