Investigation of cubic K2NaXBr6(X=Sc, Y) double perovskites for optical and thermoelectric devices

Tuning the optoelectronic and thermoelectric characteristics of narrow bandgap Rb2AlInX6(X= Cl, Br, I) double perovskites: A DFT study

(2022) Saba Iqbal et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Physical characteristics of X2NaMoBr6 (X= K, Rb): A DFT study

(2022) Nasarullah et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Pressure induced electronic, optical and thermoelectric properties of cubic BaZrO3: a first principle calculations

(2021) Shanza Mubashir et al.   OPTIK

A new lead free double perovskites K2Ti(Cl/Br)6; a promising materials for optoelectronic and transport properties; probed by DFT

(2021) T. Ghrib et al.   MATERIALS CHEMISTRY AND PHYSICS

Structural chemistry of layered lead halide perovskites containing single octahedral layers

(2021) Jason A. McNulty et al.   IUCrJ

Half-metallic ferromagnetism and thermoelectric properties of double perovskites Rb2Z(Cl/Br)6 (Z = Ta, W, Re)

(2021) Tahani H. Flemban et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Study of lead-free double perovskites halides Cs2TiCl6, and Cs2TiBr6 for optoelectronics, and thermoelectric applications

(2021) Q. Mahmood et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

First-principles calculations to investigate structural, mechanical, electronic, magnetic and thermoelectric properties of Ba2CaMO6 (M=Re, Os) cubic double perovskites

(2021) Subhendu Das et al.   PHYSICA B-CONDENSED MATTER

Structural, electronic, elastic, phonon and thermoelectric properties of Heusler-structured intermetallic HfCu2In: Using density functional theory

(2021) Aditi Jain et al.   PHYSICA B-CONDENSED MATTER

Electronic, Elastic, Vibrational and Thermodynamic Properties of HfIrX (X = As, Sb and Bi) Compounds: Insights from DFT-Based Computer Simulation

(2020) Nihat Arikan et al.   JOURNAL OF ELECTRONIC MATERIALS

A2AgCrBr6 (A = K, Rb, Cs) and Cs2AgCrX6(X = Cl, I) Double Perovskites: A Transition-Metal-Based Semiconducting Material Series with Remarkable Optics

(2020) Pradeep R. Varadwaj   Nanomaterials

Unique Behavior of Halide Double Perovskites with Mixed Halogens

(2020) Dan Han et al.   ACS Applied Materials & Interfaces

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

First-principles investigation of structural, elastic, thermodynamic, electronic and optical properties of lead-free double perovskites halides: Cs2LiYX6 (X = Br, I)

(2020) Samah Al-Qaisi et al.   MATERIALS CHEMISTRY AND PHYSICS

The first-principle study of mechanical, optical and thermoelectric properties of SnZrO3 and SnHfO3 for renewable energy applications

(2019) Q. Mahmood et al.   SOLID STATE COMMUNICATIONS

Halide Perovskite Photovoltaics: Background, Status, and Future Prospects

(2019) Ajay Kumar Jena et al.   CHEMICAL REVIEWS

Effect of pressure on electronic, magnetic, thermodynamic, and thermoelectric properties of tantalum‐based double perovskites Ba 2 MTaO 6 (M = Mn, Cr)

(2019) Muskan Nabi et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

The electronic, magnetic and electrical properties of Mn2FeReO6: Ab-initio calculations and Monte-Carlo simulation

(2019) M. Kibbou et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Origin of ultra-low lattice thermal conductivity in Cs 2 BiAg X 6 ( X =Cl, Br) and its impact on thermoelectric performance

(2018) Enamul Haque et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Ferrimagnetic ordering with high Curie temperature in ordered Bi2CuCrO6 cubic perovskite

(2018) S. Ravi   CERAMICS INTERNATIONAL

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

(2018) Areej Shawahni et al.   Materials

GGA + U and mBJ + U study of the optoelectronic, magnetic and thermoelectric properties of the SmAlO3 compound with spin–orbit coupling

(2016) Sandeep Chettri et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

The structural, elastic, electronic and optical properties of MgCu under pressure: A first-principles study

(2016) Md. Afjalur Rahman et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

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