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

Theoretical investigation of X2NaIO6 (X= Pb,Sr) double perovskites for thermoelectric and optoelectronic applications

(2022) Asima Aziz et al.   PHYSICA B-CONDENSED MATTER

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

(2021) Shanza Mubashir et al.   OPTIK

Phase transition and thermoelectric properties of cubic KNbO3 under pressure: DFT approach

(2021) Muhammad Yaseen et al.   Journal of Materials Research and Technology-JMR&T

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, electronic, half –metallic ferromagnetic and optical properties of cubic MAlO3 (M=Ce, Pr) perovskites: A DFT study

(2021) Mehwish K. Butt et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Optoelectronic and thermoelectrical and mechanical properties of CdLu2X4 (X = S, Se) using first-principles calculations for energy harvesting applications

(2021) Fasih Zareef et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

New lead-free double perovskites A2NaInI6 (A = Cs, Rb) for solar cells and renewable energy; first principles analysis

(2021) Muhammad Waqas Mukhtar et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Electronic structure and optical response of double perovskite Rb2NaCoF6 for optoelectronic devices

(2021) Moeen Ud Din et al.   PHYSICA B-CONDENSED MATTER

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

Anion replacement effect on the physical properties of metal halide double perovskites Cs2AgInX6 (X=F, Cl, Br, I)

(2020) M. Tariq et al.   SOLID STATE COMMUNICATIONS

Half-metallic ferromagnetism study of quaternary fluoro-elpasolite Rb2NaCrF6

(2020) Mohamed Berber et al.   Applied Physics A

An investigation of half-metallic variant perovskites A2NbCl6 (A= K, Rb) for spintronic based applications

(2020) Malak Azmat Ali et al.   JOURNAL OF SOLID STATE CHEMISTRY

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

Optoelectronic and thermoelectric properties of double perovskite Rb2PtX6 (X = Cl, Br) for energy harvesting: First-principles investigations

(2020) Q. Mahmood et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Physical properties of lead-free double perovskites A2SnI6 (A= Cs, Rb) using ab-initio calculations for solar cell applications

(2020) Muniba Huma et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

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

The study of mechanical and thermoelectric behavior of MgXO3 (X = Si, Ge, Sn) for energy applications by DFT

(2019) Q. Mahmood et al.   CHEMICAL PHYSICS

Structural, elastic, electronic and optical properties of lead-free halide double perovskite Cs2AgBiX6 (X = Cl, Br, and I)

(2019) Madhvendra Nath Tripathi et al.   Materials Research Express

Study of the structural, elastic, electronic and optical properties of lead free halide double perovskites Cs 2 AgBiX 6 ( X  =  Br, Cl )

(2018) M.A. Ghebouli et al.   CHINESE JOURNAL OF PHYSICS

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

(2018) Liyuan Dong et al.   COMPUTATIONAL MATERIALS SCIENCE

Exploring thermoelectric materials for renewable energy applications: The case of highly mismatched alloys based on AlBi 1-x Sb x and InBi 1-x Sb x

(2018) Bakhtiar Ul Haq et al.   INTERMETALLICS

An overview of double perovskites A 2 B′B″O 6 with small ions at A site: Synthesis, structure and magnetic properties

(2018) Aslam Hossain et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Systematic study of the elastic, optoelectronic, and thermoelectric behavior of MRh 2 O 4 (M = Zn, Cd) based on first principles calculations

(2018) Syed Adeel Abbas et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

First-principles study of electronic and optical properties of lead-free double perovskites Cs 2 Na BX 6 ( B = Sb, Bi; X = Cl, Br, I)

(2018) Shuai Zhao et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Modeling the strain impact on refractive index and optical transmission rate

(2018) Asma Darvishzadeh et al.   PHYSICA B-CONDENSED MATTER

DFT study on the crystal, electronic and magnetic structures of tantalum based double perovskite oxides Ba 2 MTaO 6 (M = Cr, Mn, Fe) via GGA and GGA + U

(2018) M. Musa Saad H.-E. et al.   Results in Physics

Full Heusler alloys (Co2TaSi and Co2TaGe) as potential spintronic materials with tunable band profiles

(2018) Shakeel Ahmad Khandy et al.   JOURNAL OF SOLID STATE CHEMISTRY

Theoretical Study of Structural, Magnetic, Elastic, Phonon, and Thermodynamic Properties of Heusler Alloys Fe2CrX (X = Al, Ga)

(2017) Ramesh Paudel et al.   Journal of Superconductivity and Novel Magnetism

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

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

Computational study of electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites

(2017) M Hassan et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

First-principles study of the double perovskites Sr2XOsO6 (X = Li, Na, Ca) for spintronics applications

(2016) M FAIZAN et al.   BULLETIN OF MATERIALS SCIENCE

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

First principles study of structural, optoelectronic and thermoelectric properties of Cu2CdSnX4 (X=S, Se, Te) chalcogenides

(2016) Sajjad Hussain et al.   MATERIALS RESEARCH BULLETIN

Theoretical investigation of mechanical, optoelectronic and thermoelectric properties of BiGaO 3 and BiInO 3 compounds

(2016) Rasul Bakhsh Behram et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary arsenides ACdGeAs2 (A=K, Rb)

(2015) Sikander Azam et al.   MATERIALS RESEARCH BULLETIN

Focus on properties and applications of perovskites

(2015) Fatih Dogan et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Perovskite Catalysts—A Special Issue on Versatile Oxide Catalysts

(2014) Yu-Chuan Lin et al.   Catalysts

FP-LAPW study of the elastic properties of Al2X (X=Sc,Y,La,Lu)

(2010) M. Rajagopalan et al.   PHYSICA B-CONDENSED MATTER