First-Principles Calculations to Investigate Structural, Electronic, Phonon, Magnetic and Thermal Properties of Stable Halide Perovskite Semiconductors Cs2GeMnI6 and Cs2GeNiI6

[1]  D. Gupta,et al.  DFT analogue of prospecting the spin-polarised properties of layered perovskites Ba2ErNbO6 and Ba2TmNbO6 influenced by electronic structure , 2022, Scientific Reports.

[2]  D. Gupta,et al.  New isostructural halide double perovskites Cs2GeNiX6 (X= Cl, Br) for semiconductor spintronics and thermoelectric advancements , 2021 .

[3]  D. Gupta,et al.  Insight view of double perovskites Ba2XNbO6 (X = Ho,Yb) for spintronics and thermoelectric applications , 2021, International Journal of Energy Research.

[4]  B. Uberuaga,et al.  A Machine Learning Approach for the Prediction of Formability and Thermodynamic Stability of Single and Double Perovskite Oxides , 2021, Chemistry of Materials.

[5]  A. A. Bokov,et al.  Recent progress in relaxor ferroelectrics with perovskite structure , 2020, Progress in Advanced Dielectrics.

[6]  Sean C. Smith,et al.  Stacking-Dependent Interlayer Magnetic Coupling in 2D CrI3/CrGeTe3 Nanostructures for Spintronics , 2019, ACS Applied Nano Materials.

[7]  Saleem Yousuf,et al.  Structural, Magneto‐electronic, Mechanical, and Thermophysical Properties of Double Perovskite Ba2ZnReO6 , 2019, physica status solidi (b).

[8]  Kulwinder Kaur,et al.  Ti based half Heusler compounds: A new on the screen with robustic thermoelectric performance , 2017 .

[9]  Kulwinder Kaur,et al.  Giant thermoelectric performance of novel TaIrSn Half Heusler compound , 2017 .

[10]  S. Louie,et al.  Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals , 2017, Nature.

[11]  A. Sayede,et al.  First-principles study of structural, elastic, thermodynamic, electronic and magnetic properties for the quaternary Heusler alloys CoRuFeZ (Z = Si, Ge, Sn) , 2016 .

[12]  Jinlong Yang,et al.  First principles design of spintronics materials , 2016 .

[13]  J. Attfield,et al.  Double Double Cation Order in the High-Pressure Perovskites MnRMnSbO6. , 2016, Angewandte Chemie.

[14]  J. Berry,et al.  Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys , 2016 .

[15]  G. Kotliar,et al.  Giant magnetoresistance in the half-metallic double-perovskite ferrimagnet Mn2FeReO6. , 2015, Angewandte Chemie.

[16]  J. Attfield,et al.  Large magnetization and frustration switching of magnetoresistance in the double-perovskite ferrimagnet Mn2FeReO6. , 2015, Angewandte Chemie.

[17]  J. Meng,et al.  Theoretical insights on the electron doping and Curie temperature in La‐doped Sr2CrWO6 , 2011, J. Comput. Chem..

[18]  C. H. Kim,et al.  Strontium-Doped Perovskites Rival Platinum Catalysts for Treating NOx in Simulated Diesel Exhaust , 2010, Science.

[19]  Stefano de Gironcoli,et al.  QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

[20]  A. Fert,et al.  NiFe2O4: A Versatile Spinel Material Brings New Opportunities for Spintronics , 2006 .

[21]  A. Fert,et al.  Spin filtering through ferrimagnetic NiFe2O4 tunnel barriers , 2006 .

[22]  David J. Singh,et al.  BoltzTraP. A code for calculating band-structure dependent quantities , 2006, Comput. Phys. Commun..

[23]  M. Blamire,et al.  Large low-field magnetoresistance in La0.7Ca0.3MnO3 induced by artificial grain boundaries , 1997, Nature.

[24]  Peter Blaha,et al.  Full-potential, linearized augmented plane wave programs for crystalline systems , 1990 .

[25]  H. Marcus,et al.  Elastic constants versus melting temperature in metals , 1984 .

[26]  S. Pugh.  XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals , 1954 .

[27]  F. Murnaghan.  The Compressibility of Media under Extreme Pressures. , 1944, Proceedings of the National Academy of Sciences of the United States of America.

[28]  D. Gupta,et al.  Magneto-electronic, mechanical, thermoelectric and thermodynamic properties of ductile perovskite Ba2SmNbO6 , 2020 .