Modeling of structural, elastic, mechanical, acoustical, electronic and thermodynamic properties of XPdF3 (X = Rb, Tl) perovskites through density functional theory

Insight into pressure tunable structural, electronic and optical properties of "Equation missing" No EquationSource Format="TEX", only image via DFT calculations

(2020) Malak Azmat Ali et al.   European Physical Journal Plus

Theoretical investigation of antisymmetric spin-orbit coupling effect on the physical properties of noncentrosymmetric BaPtSb superconductor

(2019) H.Y. Uzunok et al.   INTERMETALLICS

DFT-focused estimation of mechanical, thermoelectric and thermodynamic properties of ACdF3 (A=K, Rb, Cs) fluroperovskites

(2019) Jisha Annie Abraham   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

DFT Investigations of Structural, Magnetic, Electronic, and Optical Properties of CsEuCl3

(2019) Malak Azmat Ali et al.   Journal of Superconductivity and Novel Magnetism

A theoretical study of the structural, thermoelectric, and spin‐orbit coupling influenced optoelectronic properties of CsTmCl 3 halide perovskite

(2019) Malak Azmat Ali et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Structural, electronic, elastic, and thermal properties of CaNiH3 perovskite obtained from first-principles calculations

(2018) S Benlamari et al.   Chinese Physics B

Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study

(2018) Md. Lokman Ali et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Electronic structure, elastic and phonon properties of perovskite-type hydrides MgXH 3 (X = Fe, Co) for hydrogen storage

(2018) Abdullah Candan et al.   SOLID STATE COMMUNICATIONS

Structural, Elastic, Electronic and Optical Properties of SrTMO3 (TM = Rh, Zr) Compounds: Insights from FP-LAPW Study

(2018) Areej Shawahni et al.   Materials

Structural, electronic and optical properties of CsPbX 3 (X=Cl, Br, I) for energy storage and hybrid solar cell applications

(2017) Murad Ahmad et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Ab initio Study of Ag-Based Fluoroperovskite AgMF3 (M = Co and Ni) Compounds

(2017) A. A. Mubarak   JOURNAL OF ELECTRONIC MATERIALS

Investigation of electronic, magnetic and thermoelectric properties of Zr 2 NiZ (Z = Al,Ga) ferromagnets

(2017) Saleem Yousuf et al.   MATERIALS CHEMISTRY AND PHYSICS

First Principles Investigation of Fluorine Based Strontium Series of Perovskites

(2016) Nazia Erum et al.   COMMUNICATIONS IN THEORETICAL PHYSICS

Two symmetric n-type interfaces SrTiO3/LaAlO3 in perovskite: Electronic properties from density functional theory

(2016) A. H. Reshak et al.   JOURNAL OF APPLIED PHYSICS

First Principles Investigation of the Elastic, Optoelectronic and Thermal Properties of XRuSb: (X = V, Nb, Ta) Semi-Heusler Compounds Using the mBJ Exchange Potential

(2016) K. Bencherif et al.   JOURNAL OF ELECTRONIC MATERIALS

High-pressure elastic properties of cubic Ir 2 P from ab initio calculations

(2016) Xiao-Wei Sun et al.   PHYSICS LETTERS A

Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations

(2016) Sabine Körbel et al.   Journal of Materials Chemistry C

First-principles calculations of two cubic fluoropervskite compounds: RbFeF3 and RbNiF3

(2015) A.A. Mubarak et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Structural, mechanical and electronic properties of sodium based fluoroperovskites NaXF3 (X=Mg, Zn) from first-principle calculations

(2015) R. Arar et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Predictive study of structural, electronic, magnetic and thermodynamic properties of XFeO3 (X = Ag, Zr and Ru) multiferroic materials in cubic perovskite structure: first-principles calculations

(2015) N. Moulay et al.   MATERIALS SCIENCE-POLAND

Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl3Compound: An ab initio Study

(2014) K. Ephraim Babu et al.   ACTA PHYSICA POLONICA A

Physical Properties of CsSnM3(M = Cl, Br, I): A First Principle Study

(2013) Hayatullah et al.   ACTA PHYSICA POLONICA A

Electronic, mechanical, phase transition and thermo-physical properties of TiC, ZrC and HfC: High pressure computational study

(2013) Mamta Chauhan et al.   DIAMOND AND RELATED MATERIALS

Electronic band structure, phonons, and exciton binding energies of halide perovskites CsSnCl3, CsSnBr3, and CsSnI3

(2013) Ling-yi Huang et al.   PHYSICAL REVIEW B

The electronic and optical properties of the fluoroperovskite BaXF3 (X=Li, Na, K, and Rb) compounds

(2012) A.A. Mubarak et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles study of electronic, dynamical and thermodynamic properties of Li2TiO3

(2012) Z. Wan et al.   EUROPEAN PHYSICAL JOURNAL B

All-solid-state dye-sensitized solar cells with high efficiency

(2012) In Chung et al.   NATURE

Topological insulator phase in halide perovskite structures

(2012) Hosub Jin et al.   PHYSICAL REVIEW B

First-principle calculations to investigate the elastic and thermodynamic properties ofRBRh3(R = Sc, Y and La) perovskite compounds

(2011) F. Litimein et al.   MOLECULAR PHYSICS

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

(2009) Akihiro Kojima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formability ofABX3(X= F, Cl, Br, I) halide perovskites

(2008) Chonghea Li et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Correlation between ionic charge and the lattice constant of cubic perovskite solids

(2008) A. S. Verma et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS