Exploring the structural, opto-electronics and elastic properties of fluoro-perovskites KXF3 (X = Ir, Rh): A first-principles study

[1]  Abdullah,et al.  First-Principles Insights into Structural, Optoelectronic, and Elastic Properties of Fluoro-Perovskites KXF3 (X = Ru, Os) , 2023, ACS omega.

[2]  Hongkuan Yuan,et al.  Fully spin-polarized hourglass charge-three Weyl points and sextuple-helicoid surface arcs in P6322 -type , 2023, Physical Review B.

[3]  Abdullah,et al.  Detail computational study about the structural, electronic, optical, and mechanical properties of RbVX3 (Cl, Br, I) halide perovskite materials , 2023, RSC advances.

[4]  Abdullah,et al.  Insight to structural, electronic, optical and elastic properties of double perovskites Rb2XCrCl6 (X= K, Na) via DFT study , 2023, Journal of Physics and Chemistry of Solids.

[5]  Abdullah,et al.  Investigation of Structural, Opto-Electronic, Mechanical and Thermoelectric Properties of Rb-based fluoro-perovskites RbXF3 (X=Rh, Os, Ir) via first-principles calculations , 2023, Journal of Saudi Chemical Society.

[6]  Abdullah,et al.  Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl3 (X = Rb, Cs): a first-principles calculations , 2023, RSC advances.

[7]  Abdullah,et al.  Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF3 (M = Rb and Cs) via Density Functional Theory Computation , 2022, ACS omega.

[8]  E. F. El-Shamy,et al.  Electronic Structure, Optical and Thermal Response of Lead-Free RbAuBr3 and RbAuBr4 Perovskites for Renewable Energy Applications , 2022, ECS Journal of Solid State Science and Technology.

[9]  Abdullah,et al.  Structural, electronic, magnetic and elastic properties of xenon-based fluoroperovskites XeMF3 (M = Ti, V, Zr, Nb) via DFT studies , 2022, RSC advances.

[10]  Hongkuan Yuan,et al.  Multiple dimensions of spin-gapless semiconducting states in tetragonal Sr2CuF6 , 2022, Physical Review B.

[11]  M. S. Saad H.-E.,et al.  Consequences of Tuning Rare-Earth RE3+-Site and Exchange–Correlation Energy U on the Optoelectronic, Mechanical, and Thermoelectronic Properties of Cubic Manganite Perovskites REMnO3 for Spintronics and Optoelectronics Applications , 2022, ACS omega.

[12]  Abdullah,et al.  DFT study of the structural, elastic and optoelectronic properties of Cu-based cubic halide-perovskites ACuF3 (A = Mg and Ca) , 2022, Physica Scripta.

[13]  M. S. Saad H.-E.,et al.  Structural, magnetic, electronic and optical properties of cubic rare-earth vanadate perovskites PrVO3 and NdVO3: insights from GGA potentials , 2021, Indian Journal of Physics.

[14]  A. Bouhemadou,et al.  Ab initio exploration of the structural, elastic, electronic and optical properties of a new layered perovskite-type oxyfluoride: CsSrNb2O6F , 2021 .

[15]  Xiao Shen,et al.  Optical and electronic properties of SiTex (x = 1, 2) from first-principles , 2021, 2104.08909.

[16]  D. Manara,et al.  Plutonium and Americium Aluminate Perovskites. , 2019, Inorganic chemistry.

[17]  N. Lakshmi,et al.  Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys , 2018 .

[18]  R. Ahmed,et al.  Structural, electronic, optical and thermodynamic investigations of NaXF 3 (X = Ca and Sr): First-principles calculations , 2018 .

[19]  K. Biswas,et al.  Comparative study of perovskite-type scintillator materials CsCaI3 and KCaI3 via first-principles calculations , 2018 .

[20]  Hong Wang,et al.  Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations , 2017, Scientific Reports.

[21]  Y. Al-Douri,et al.  First-principles Calculations of Structural, Magnetic Electronic and Optical Properties of Rare-earth Metals TbX (X=N, O, S, Se) , 2017, Journal of Superconductivity and Novel Magnetism.

[22]  A. A. Mubarak,et al.  The first-principle study of the electronic, optical and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) compounds , 2016 .

[23]  G. Murtaza,et al.  Half-metallicity and optoelectronic properties of V-doped zincblende ZnS and CdS alloys , 2016 .

[24]  Kang L. Wang,et al.  Low-Power, High-Density Spintronic Programmable Logic With Voltage-Gated Spin Hall Effect in Magnetic Tunnel Junctions , 2016, IEEE Magnetics Letters.

[25]  Bernd Rech,et al.  A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells , 2016, Science.

[26]  David Cahen,et al.  Cesium Enhances Long-Term Stability of Lead Bromide Perovskite-Based Solar Cells. , 2015, The journal of physical chemistry letters.

[27]  Sung Min Cho,et al.  Formamidinium and Cesium Hybridization for Photo‐ and Moisture‐Stable Perovskite Solar Cell , 2015 .

[28]  Franccois-Xavier Coudert,et al.  Necessary and Sufficient Elastic Stability Conditions in Various Crystal Systems , 2014, 1410.0065.

[29]  K. V. Babu,et al.  Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl_3 Compound: An ab initio Study , 2014 .

[30]  Q. Mahmood,et al.  Study of half-metallic ferromagnetism in V-doped CdTe alloys by using first-principles calculations $ , 2013 .

[31]  M. Zhuravleva,et al.  Theoretical and experimental characterization of promising new scintillators: Eu2+ doped CsCaCl3 and CsCaI3 , 2013 .

[32]  F. Soyalp,et al.  DFT-BASED AB INITIO STUDY OF THE ELECTRONIC AND OPTICAL PROPERTIES OF CESIUM BASED FLUORO-PEROVSKITE CsMF3 (M = Ca AND Sr) , 2012 .

[33]  Kin Mun Wong,et al.  An ab-initio study of the structural, electronic and magnetic properties of half-metallic ferromagnetism in Cr-doped BeSe and BeTe , 2012 .

[34]  A. Shaukat,et al.  First principles study of half-metallic ferromagnetism in Cr-doped CdTe , 2011 .

[35]  S. Siddiqi,et al.  First principles density functional calculations of half-metallic ferromagnetism in Zn1-xCrxS and Cd1-xCrxS , 2010 .

[36]  P. Blaha,et al.  Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential. , 2009, Physical review letters.

[37]  Xilin Peng,et al.  “All-Heusler alloy” current-perpendicular-to-plane giant magnetoresistance , 2009 .

[38]  Anatoli I. Popov,et al.  CsPbCl3 nanocrystals dispersed in the Rb0,8Cs0,2Cl matrix studied by far-infrared spectroscopy , 2009 .

[39]  D. G. Walker,et al.  Review of electronic transport models for thermoelectric materials , 2008 .

[40]  Eric Belhaire,et al.  Spintronic Device Based Non-volatile Low Standby Power SRAM , 2008, 2008 IEEE Computer Society Annual Symposium on VLSI.

[41]  L. Sandratskii,et al.  Half-metallic ferromagnetism in zinc-blende CaC, SrC, and BaC from first principles , 2007 .

[42]  H. Kubota,et al.  Giant tunneling magnetoresistance in Co2MnSi∕Al–O∕Co2MnSi magnetic tunnel junctions , 2006 .

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

[44]  M. Zbiri,et al.  Full potential calculation of structural, electronic and optical properties of KMgF3 , 2005 .

[45]  I. Galanakis.  Orbital magnetism in the half-metallic Heusler alloys , 2004, cond-mat/0407560.

[46]  H. Machida,et al.  Crystal growth of fluorides for optical applications , 2001 .

[47]  Jean-Michel Leger,et al.  Synthesis and Design of Superhard Materials , 2001 .

[48]  B. V. van Wees,et al.  Electrical spin injection and accumulation at room temperature in an all-metal mesoscopic spin valve , 2001, Nature.

[49]  C. Sorensen,et al.  Synthesis and properties of Cd1−xMnxS diluted magnetic semiconductor ultrafine particles , 1997 .

[50]  T. Matsui,et al.  Structural phase transitions of the polymorphs of CsSnI3 by means of rietveld analysis of the X-ray diffraction. , 1991 .

[51]  N. Akhmetova,et al.  Alkali Metal Fluorides in Organic Synthesis , 1983 .

[52]  K.H.J. Buschow,et al.  New Class of Materials: Half-Metallic Ferromagnets , 1983 .

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

[54]  S. Zaman,et al.  Ab initio investigation of the physical properties of Tl based chloroperovskites TlXCl3 (X = Ca and Cd) , 2021 .

[55]  D. Wallace,et al.  Thermodynamics of Crystals , 1972 .