Transition metal-doped TiO2 and ZnO—present status of the field R Janisch, P Gopal, NA Spaldin Journal of Physics: Condensed Matter 17 (27), R657, 2005 | 791 | 2005 |
Magnetic interactions in transition-metal-doped ZnO: An ab initio study P Gopal, NA Spaldin Physical Review B 74 (9), 094418, 2006 | 353 | 2006 |
Polarization, piezoelectric constants, and elastic constants of ZnO, MgO, and CdO P Gopal, NA Spaldin Journal of Electronic Materials 35, 538-542, 2006 | 194 | 2006 |
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians AR Supka, TE Lyons, L Liyanage, P D’Amico, RAR Al Orabi, S Mahatara, ... Computational Materials Science 136, 76-84, 2017 | 85 | 2017 |
Improved predictions of the physical properties of Zn-and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional P Gopal, M Fornari, S Curtarolo, LA Agapito, LSI Liyanage, MB Nardelli Physical Review B 91 (24), 245202, 2015 | 72 | 2015 |
Improved electronic structure and magnetic exchange interactions in transition metal oxides P Gopal, R De Gennaro, MS dos Santos Gusmao, RAR Al Orabi, H Wang, ... Journal of Physics: Condensed Matter 29 (44), 444003, 2017 | 40 | 2017 |
Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe H Wang, P Gopal, S Picozzi, S Curtarolo, M Buongiorno Nardelli, ... npj Computational Materials 6 (1), 7, 2020 | 36 | 2020 |
Systematic Band Gap Tuning of BaSnO3 via Chemical Substitutions: The Role of Clustering in Mixed-Valence Perovskites S Lee, H Wang, P Gopal, J Shin, HMI Jaim, X Zhang, SY Jeong, ... Chemistry of Materials 29 (21), 9378-9385, 2017 | 35 | 2017 |
First-principles study of self-and solute diffusion mechanisms in γ′-Ni 3 Al P Gopal, SG Srinivasan Physical Review B 86 (1), 014112, 2012 | 35 | 2012 |
First-principles study of wurtzite-structure MnO P Gopal, NA Spaldin, UV Waghmare Physical Review B 70 (20), 205104, 2004 | 32 | 2004 |
The AFLOW fleet for materials discovery C Toher, C Oses, D Hicks, E Gossett, F Rose, P Nath, D Usanmaz, ... arXiv preprint arXiv:1712.00422, 2017 | 31 | 2017 |
Ultrathin SnTe films as a route towards all-in-one spintronics devices J Sławińska, FT Cerasoli, P Gopal, M Costa, S Curtarolo, MB Nardelli 2D Materials 7 (2), 025026, 2020 | 25 | 2020 |
Site occupancy of chromium in the γ′-Ni3Al phase of nickel-based superalloys: a combined 3D atom probe and first-principles study M Chaudhari, A Singh, P Gopal, S Nag, GB Viswanathan, J Tiley, ... Philosophical magazine letters 92 (9), 495-506, 2012 | 23 | 2012 |
Absorption and emission modulation in a MoS2–GaN (0001) heterostructure by interface phonon–exciton coupling Y Poudel, J Sławińska, P Gopal, S Seetharaman, Z Hennighausen, S Kar, ... Photonics Research 7 (12), 1511-1520, 2019 | 15 | 2019 |
Thermoelectric properties of minerals with the mawsonite structure I Siloi, P Gopal, S Curtarolo, MB Nardelli, P Vaqueiro, M Fornari ACS Applied Energy Materials 2 (11), 8068-8078, 2019 | 9 | 2019 |
Mechanical properties of chemically modified clay MSS Gusmão, P Gopal, I Siloi, S Curtarolo, M Fornari, MB Nardelli Scientific Reports 9 (1), 13698, 2019 | 9 | 2019 |
First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel P Paranjape, P Gopal, SG Srinivasan Journal of Applied Physics 125 (12), 2019 | 7 | 2019 |
J. Phys.: Condens. Matter R Janisch, P Gopal, NA Spaldin J. Phys.: Condens. Matter 17, 657-689, 2005 | 7 | 2005 |
High-Throughput Computational Search for Half-Metallic Oxides LSI Liyanage, J Sławińska, P Gopal, S Curtarolo, M Fornari, ... Molecules 25 (9), 2010, 2020 | 1 | 2020 |
Group-IV tellurides as a route towards all-in-one spin transistors J Slawinska, F Cerasoli, P Gopal, S Curtarolo, M Buongiorno Nardelli Bulletin of the American Physical Society 65, 2020 | | 2020 |