Exploring the structural, Mechanical, electronic, optical, and thermoelectric properties of Cesium-based double perovskite Cs2GeSnX6 (X = Cl, Br, I) compounds: A DFT study

Transition metal-based halides double Cs2ZSbX6 (Z = Ag, Cu, and X = Cl, Br, I) perovskites: A mechanically stable and highly absorptive materials for photovoltaic devices

(2022) Yashaswi Soni et al.   JOURNAL OF SOLID STATE CHEMISTRY

First-principles investigations of Na2CuMCl6 (M = Bi, Sb) double perovskite semiconductors: Materials for green technology

(2022) Samah Al-Qaisi et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Study of optoelectronic and thermoelectric properties of double perovskites Rb2AgBiX6 (X = Br, I): by DFT approach

(2022) Abdelazim M. Mebed et al.   European Physical Journal Plus

Ab‐initio study of opto‐electronic and thermoelectric properties of direct bandgap double perovskites Rb 2 XGaBr 6 (XNa, K)

(2021) Anwar Ul Haq et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

First-principles investigations of Ba2NaIO6 double Perovskite semiconductor: Material for low-cost energy technologies

(2021) Samah Al-Qaisi et al.   MATERIALS CHEMISTRY AND PHYSICS

Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods

(2020) Maurizia Palummo et al.   ACS Energy Letters

Extensive investigation of structural, electronic, optical, and thermoelectric properties of hybrid perovskite ( CH 3 NH 3 PbBr 3 ) with mechanical stability constants

(2020) Shaily Choudhary et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Analysis of cage structured halide double perovskites Cs2NaMCl6 (M = Ti, V) by spin polarized calculations

(2020) Shabir Ahmad Mir et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (HEOM)

(2020) Yoshitaka Tanimura   JOURNAL OF CHEMICAL PHYSICS

Probing of mechanical, optical and thermoelectric characteristics of double perovskites Cs2GeCl/Br6 by DFT method

(2020) Q. Mahmood et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Lead-free Semiconductors with High Absorption: Insight into the Optical Properties of K2GeSnBr6 and K2GeSnI6 Halide Double Perovskites

(2020) M. Houari et al.   JETP LETTERS

Electronic, optical and magnetic properties of PrXO3(X = V, Cr): first-principle calculations

(2020) Muhammad Yaseen et al.   PHILOSOPHICAL MAGAZINE

Potential Applications of Halide Double Perovskite Cs2AgInX6 (X = Cl, Br) in Flexible Optoelectronics: Unusual Effects of Uniaxial Strains

(2019) Zhao Zhang et al.   Journal of Physical Chemistry Letters

Magnetism and phase diagrams of the doubles perovskite Sr2 CrIrO6: Monte Carlo simulations

(2019) S. Idrissi et al.   PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Revealing the structural, electronic and optical properties of lead-free perovskite derivatives of Rb2SnX6(X = Cl, Br and I): A theory calculation

(2019) Yong Tang et al.   SOLAR ENERGY

Elastic properties and thermal expansion of lead-free halide double perovskite Cs 2 AgBiBr 6

(2018) Liyuan Dong et al.   COMPUTATIONAL MATERIALS SCIENCE

Emerging solar cells energy trade-off: Interface engineering materials impact on stability and efficiency progress

(2018) Bablu K. Ghosh et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap

(2017) George Volonakis et al.   Journal of Physical Chemistry Letters

Recent progress in stabilizing hybrid perovskites for solar cell applications

(2017) Jianqing Chen et al.   JOURNAL OF POWER SOURCES

Magnetic properties of double perovskite Sr 2 RuHoO 6 : Monte Carlo Simulation

(2016) A. Nid-bahami et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

(2015) Zhen Li et al.   CHEMISTRY OF MATERIALS

Electronic, thermoelectric and magnetic properties of La2NiMnO6 and La2CoMnO6

(2015) Mazhar Ullah et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magnetic properties of the double perovskiteBa2NiUO6

(2015) M. Arejdal et al.   PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

An extended Tolerance Factor approach for organic–inorganic perovskites

(2015) Gregor Kieslich et al.   Chemical Science

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Monte Carlo study of the double perovskite nano Sr2VMoO6

(2013) M. El Yadari et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Effect of cation substitution on electronic band structure of ZnGeAs2 pnictides: A mBJLDA approach

(2012) Hardev S. Saini et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Impact of energy filtering and carrier localization on the thermoelectric properties of granular semiconductors

(2012) Dario Narducci et al.   JOURNAL OF SOLID STATE CHEMISTRY

Improving the modified Becke-Johnson exchange potential

(2012) David Koller et al.   PHYSICAL REVIEW B