Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase

Temperature effect to investigate optical and structural properties of AZO nanostructures for optoelectronics

(2021) K Gherab et al.   BULLETIN OF MATERIALS SCIENCE

WIEN2k: An APW+lo program for calculating the properties of solids

(2020) Peter Blaha et al.   JOURNAL OF CHEMICAL PHYSICS

Computational Prediction of Structural, Electronic, Elastic, and Thermoelectric Properties of FeVX (X = As, P) Half-Heusler Compounds

(2020) N. Chami et al.   JOURNAL OF ELECTRONIC MATERIALS

Electronic and thermoelectric properties of the layered Zintl phase CaIn2P2: first-principles calculations

(2020) N. Guechi et al.   PHILOSOPHICAL MAGAZINE

Structural, electronic, optical and thermoelectric properties in the phases of AgTaO3

(2020) Salman Ali Khan et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

DFT based study on structural stability and transport properties of Sr3AsN: A potential thermoelectric material

(2019) Enamul Haque et al.   JOURNAL OF MATERIALS RESEARCH

Comparative First-Principles Study of Antiperovskite Oxides and Nitrides as Thermoelectric Material: Multiple Dirac Cones, Low-Dimensional Band Dispersion, and High Valley Degeneracy

(2019) Masayuki Ochi et al.   Physical Review Applied

Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4

(2019) L. Salik et al.   Journal of Superconductivity and Novel Magnetism

Electronic, optical and thermoelectric investigations of Zintl phase AE 3 AlAs 3 (AE = Sr, Ba): First-principles calculations

(2018) A. Bekhti-Siad et al.   CHINESE JOURNAL OF PHYSICS

First-principles study of mechanical, thermodynamic, transport and superconducting properties of Sr 3 SnO

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

Electronic and thermoelectric properties of the layered BaFAg Ch ( Ch  = S, Se and Te): First-principles study

(2018) K. Boudiaf et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Thermodynamic, electronic, and magnetic properties of intrinsic vacancy defects in antiperovskite Ca3SnO

(2018) Javaria Batool et al.   JOURNAL OF APPLIED PHYSICS

Structural, Elastic, Thermodynamic, Electronic, and Magnetic Investigations of Full-Heusler Compound Ag2CeAl: FP-LAPW Method

(2018) Friha Khelfaoui et al.   Journal of Superconductivity and Novel Magnetism

Possible High Thermoelectric Power in Semiconducting Carbon Nanotubes ∼A Case Study of Doped One-Dimensional Semiconductors∼

(2018) Takahiro Yamamoto et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Structural, elastic, optoelectronic and transport calculations of Sr 3 SnO under pressure

(2018) Enamul Haque et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba)

(2018) A. Benahmed et al.   PHILOSOPHICAL MAGAZINE

Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles

(2018) Terumasa Tadano et al.   PHYSICAL REVIEW LETTERS

Structural, electronic, optical and thermoelectric investigations of antiperovskites A 3 SnO (A = Ca, Sr, Ba) using density functional theory

(2018) M. Hassan et al.   SOLID STATE COMMUNICATIONS

Expanding frontiers in materials chemistry and physics with multiple anions

(2018) Hiroshi Kageyama et al.   Nature Communications

Electronic, optical, elastic, thermoelectric and thermodynamic properties of the spinel oxides ZnRh2O4 and CdRh2O4

(2018) A. Bouhemadou et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Enhanced thermoelectric performance in Ca-substituted Sr3SnO

(2018) Enamul Haque et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Perovskite Distortion Inverted: Crystal Structures of (A 3 N)As (A = Mg, Ca, Sr, Ba)

(2018) Dominik Stoiber et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Enhanced power factor and reduced Lorenz number in the Wiedemann–Franz law due to pudding mold type band structures

(2017) Hidetomo Usui et al.   JOURNAL OF APPLIED 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

Thermoelectric properties of antiperovskite calcium oxides Ca3PbO and Ca3SnO

(2016) Y. Okamoto et al.   JOURNAL OF APPLIED PHYSICS

Electronic and Optical Properties of Ca3MN (M = Ge, Sn, Pb, P, As, Sb and Bi) Antiperovskite Compounds

(2016) Samad Iqbal et al.   JOURNAL OF ELECTRONIC MATERIALS

Structural and Optoelectronic Properties of X3ZN (X = Ca, Sr, Ba; Z = As, Sb, Bi) Anti-Perovskite Compounds

(2016) Imran Ullah et al.   JOURNAL OF ELECTRONIC MATERIALS

Optoelectronic properties of naphtho[2, 1-b:6, 5-b′]difuran derivatives for photovoltaic application: a computational study

(2016) Aijaz Rasool Chaudhry et al.   JOURNAL OF MOLECULAR MODELING

Electronic, optical and thermoelectric properties of XNMg3 (X=P, As, Sb, Bi) compounds

(2016) Abdul Basit et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

FP-LAPW investigation of mechanical and thermodynamic properties of X 2 O (X = Na and K) under pressure and temperature effects

(2016) Kada Bidai et al.   OPTIK

Superconductivity in the antiperovskite Dirac-metal oxide Sr3−xSnO

(2016) Mohamed Oudah et al.   Nature Communications

Elastic and thermodynamic properties of the SiB2O4 (B=Mg, Zn and Cd) cubic spinels: An ab initio FP-LAPW study

(2015) A. Bouhemadou et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Better thermoelectrics through glass-like crystals

(2015) Matt Beekman et al.   NATURE MATERIALS

Analytical investigations of CdS nanostructures for optoelectronic applications

(2015) Y. Al-Douri et al.   OPTIK

Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW LETTERS

FP-LAPW investigation of mechanical and thermodynamic properties of Na2X (X = S and Se) under pressure and temperature effects

(2015) Kada Bidai et al.   MATERIALS SCIENCE-POLAND

Giant Seebeck coefficient in semiconducting single-wall carbon nanotube film

(2014) Yusuke Nakai et al.   Applied Physics Express

Ab initio study of the structural and optoelectronic properties of the half-Heusler CoCrZ (Z = Al, Ga)

(2014) A. Missoum et al.   CANADIAN JOURNAL OF PHYSICS

Morphology and optical investigations of ZnO pyramids and nanoflakes for optoelectronic applications

(2014) N.K. Hassan et al.   OPTIK

Topological crystalline insulators and Dirac octets in antiperovskites

(2014) Timothy H. Hsieh et al.   PHYSICAL REVIEW B

Phonon-glass electron-crystal thermoelectric clathrates: Experiments and theory

(2014) Toshiro Takabatake et al.   REVIEWS OF MODERN PHYSICS

First-principles study of XNMg3 (X=P, As, Sb and Bi) antiperovskite compounds

(2013) K. Amara et al.   JOURNAL OF ALLOYS AND COMPOUNDS

FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1−xC alloys

(2013) M. Ameri et al.   MOLECULAR PHYSICS

First-principles investigation on structural, elastic, electronic and thermodynamic properties of filled skutterudite PrFe4P12compound for thermoelectric applications

(2013) Mohammed Ameri et al.   MOLECULAR SIMULATION

Structural investigation of Si0.5Ge0.5 alloy for optoelectronic applications: Ab initio study

(2013) Y. Al-Douri et al.   OPTIK

Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS

(2012) Julien Vidal et al.   APPLIED PHYSICS LETTERS

Low-Energy Effective Hamiltonian and the Surface States of Ca3PbO

(2012) Toshikaze Kariyado et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Structural and optoelectronic properties of NiTiX and CoVX (X=Sb and Sn) half-Heusler compounds: An ab initio study

(2012) M. Ameri et al.   OPTIK

Optoelectronic properties of GaAs and AlAs under temperature effect

(2012) Y. Al-Douri et al.   OPTIK

Quantitative relation between structure and thermal conductivity in type-I clathratesX8Ga16Ge30(X=Sr, Ba) based on electrostatic-potential analysis

(2012) Akihiko Fujiwara et al.   PHYSICAL REVIEW B

Structural and optical investigations of cadmium sulfide nanostructures for optoelectronic applications

(2012) Abdulwahab S.Z. Lahewil et al.   SOLAR ENERGY

First-principles calculations to investigate optical properties of ByAlxIn1−x−yN alloys for optoelectronic devices

(2012) Y. Al-Douri et al.   SUPERLATTICES AND MICROSTRUCTURES

Heavily Doped p-Type PbSe with High Thermoelectric Performance: An Alternative for PbTe

(2011) Heng Wang et al.   ADVANCED MATERIALS

Three-Dimensional Dirac Electrons at the Fermi Energy in Cubic Inverse Perovskites: Ca3PbO and Its Family

(2011) Toshikaze Kariyado et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

Structural, elastic and electronic properties of the hexagonal anti-perovskites SbNBa3 and BiNBa3

(2010) K. Haddadi et al.   COMPUTATIONAL MATERIALS SCIENCE

FP-APW+lo study of the elastic, electronic and optical properties for the cubic antiperovskite ANSr3 (A=As, Sb and Bi) under pressure effect

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

Thermoelectric enhancement in PbTe with K or Na codoping from tuning the interaction of the light- and heavy-hole valence bands

(2010) John Androulakis et al.   PHYSICAL REVIEW B

New Family of Three-Dimensional Topological Insulators with Antiperovskite Structure

(2010) Yan Sun et al.   PHYSICAL REVIEW LETTERS

Prediction study of the structural, elastic and electronic properties of ANSr3 (A=As, Sb and Bi)

(2009) K. Haddadi et al.   COMPUTATIONAL MATERIALS SCIENCE

Turning Carbon Nanotubes from Exceptional Heat Conductors into Insulators

(2009) Ravi S. Prasher et al.   PHYSICAL REVIEW LETTERS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Structural and elastic properties under pressure effect of the cubic antiperovskite compounds ANCa3 (A=P, As, Sb, and Bi)

(2009) K. Haddadi et al.   PHYSICS LETTERS A

Magnetostriction in Mn3CuN

(2008) K. Asano et al.   APPLIED PHYSICS LETTERS

Enhanced thermoelectric performance of rough silicon nanowires

(2008) Allon I. Hochbaum et al.   NATURE

Avoided crossing of rattler modes in thermoelectric materials

(2008) Mogens Christensen et al.   NATURE MATERIALS

Local Lattice Distortion in the Giant Negative Thermal Expansion MaterialMn3Cu1−xGexN

(2008) S. Iikubo et al.   PHYSICAL REVIEW LETTERS

High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys

(2008) B. Poudel et al.   SCIENCE

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States

(2008) J. P. Heremans et al.   SCIENCE