Electronic Structure and Thermoelectric Properties of Semiconductors K2GeSiX6 (X=F, Cl, Br and I) Compounds: Ab-Initio Investigation

Structure, electronic and optical properties of Cs2Ti(Br1-xYx)6 (Y = Cl, I; x = 0, 0.25, 0.5, 0.75, 1) perovskites: The first principles investigations

(2020) Wenzhu Li et al.   JOURNAL OF SOLID STATE CHEMISTRY

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

Optoelectronic properties of germanium iodide perovskites AGeI3 (A = K, Rb and Cs): first principles investigations

(2019) M. Houari et al.   OPTICAL AND QUANTUM ELECTRONICS

Investigation of DFT+U effect of Holmium rare-earth on the electronic, magnetic and the half-metallic ferromagnetic properties' of double perovskite Ba2HoReO6

(2019) Slimane Haid et al.   SOLID STATE COMMUNICATIONS

Electronic and thermoelectric properties of RbYSn half-Heusler compound with 8 valence electrons: Spin-orbit coupling effect

(2019) D.M. Hoat et al.   CHEMICAL PHYSICS

Structural, electronic and optical properties of cubic fluoroelpasolite Cs 2 NaYF 6 by density functional theory

(2018) M. Houari et al.   CHINESE JOURNAL OF PHYSICS

Lead-Free Perovskite Semiconductors Based on Germanium–Tin Solid Solutions: Structural and Optoelectronic Properties

(2018) Satyawan Nagane et al.   Journal of Physical Chemistry C

Effect of High Pressure and Temperature on Magneto-Electronic, Thermodynamic, and Transport Properties of Antiferromagnetic HoPdX (X = As, Ge) Alloys

(2018) Srishti Singh et al.   Journal of Superconductivity and Novel Magnetism

Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation

(2017) Xin-Gang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cu–In Halide Perovskite Solar Absorbers

(2017) Xin-Gang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High Open-Circuit Voltages in Tin-Rich Low-Bandgap Perovskite-Based Planar Heterojunction Photovoltaics

(2016) Baodan Zhao et al.   ADVANCED MATERIALS

Band structure and transport studies of half Heusler compound DyPdBi: An efficient thermoelectric material

(2016) S. Krishnaveni et al.   JOURNAL OF MATERIALS RESEARCH

The Origin of Lower Hole Carrier Concentration in Methylammonium Tin Halide Films Grown by a Vapor-Assisted Solution Process

(2016) Takamichi Yokoyama et al.   ACS Energy Letters

Toward Lead-Free Perovskite Solar Cells

(2016) Feliciano Giustino et al.   ACS Energy Letters

Ab-initio study of optoelectronic and magnetic properties of the orthorhombic NdMnO3 perovskite

(2015) B. Bouadjemi et al.   SOLID STATE COMMUNICATIONS

Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications

(2014) M. Bilal et al.   COMPUTER PHYSICS COMMUNICATIONS

Anomalous Band Gap Behavior in Mixed Sn and Pb Perovskites Enables Broadening of Absorption Spectrum in Solar Cells

(2014) Feng Hao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Non-local exchange correlation functionals impact on the structural, electronic and optical properties of III–V arsenides

(2013) N Najwa Anua et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Density-functional theory investigation of energy gaps and optical properties of Hg1−xCdxTe and In1−xGaxAs

(2012) San-Dong Guo et al.   Chinese Physics B

Electronic structural, elastic properties and thermodynamics of Mg17Al12, Mg2Si and Al2Y phases from first-principles calculations

(2012) Z.W. Huang et al.   PHYSICA B-CONDENSED MATTER

Structural and electronic properties of the Laves phase based on rare earth type BaM2 (M=Rh, Pd, Pt)

(2012) A. Yakoubi et al.   Results in Physics

Thermoelectric Phenomena, Materials, and Applications

(2011) Terry M. Tritt   Annual Review of Materials Research

Elastic, electronic and thermodynamic properties of fluoro-perovskite KZnF3 via first-principles calculations

(2011) T. Seddik et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

Structure and optical properties of high light output halide scintillators

(2010) David J. Singh   PHYSICAL REVIEW B

Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional

(2010) David J. Singh   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Recent Progress in Oxide Thermoelectric Materials: p-Type Ca3Co4O9and n-Type SrTiO3−

(2008) Hiromichi Ohta et al.   INORGANIC CHEMISTRY