Structural, elastic, thermodynamic, electronic, optical and thermoelectric properties of MgLu2X4 (X= S, Se) spinel compounds from ab-initio calculations

Structural, electronic, mechanical, and dynamical properties of scandium carbide

(2021) Mohammed S. Abu-Jafar et al.   Results in Physics

First-principle investigation of ferromagnetism and thermoelectric characteristics of MgCr2X4 (X = S, Se) spinels

(2020) Q. Mahmood et al.   JOURNAL OF SOLID STATE CHEMISTRY

Analysis of optoelectronic and trasnport properties of magnesium based MgSc2X4 (X=S, Se) spinels for solar cell and energy storage device applications

(2020) W. Tahir et al.   CERAMICS INTERNATIONAL

A comprehensive first-principles computational study on the physical properties of lutetium aluminum perovskite LuAlO3

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

Ab initio studies of the structural, elastic, electronic and optical properties of the Ni3In intermetallic compound

(2020) Ahmad A. Mousa et al.   MATERIALS CHEMISTRY AND PHYSICS

Theoretical investigation of the structural, electronic, and elastic properties of TM3In(TM = Pd and Pt) intermetallic compounds

(2020) Ahmad A. Mousa et al.   AIP Advances

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

Ab initio study of the structural, electronic, optical and elastic properties of promising optoelectronic and thermoelectric compounds MgSc2X4 (X = S; Se)

(2020) Khang D. Pham et al.   JOURNAL OF SOLID STATE CHEMISTRY

Electronic, magnetic and optical properties of monolayer (ML) hexagonal ZnSe on vacancy defects at Zn sites from DFT-1/2 approach

(2020) D.P. Rai et al.   VACUUM

Opto-electronic and thermoelectric properties of MgIn2X4 (X = S, Se) spinels via ab-initio calculations

(2019) Q. Mahmood et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies

(2019) Douglas H. Fabini et al.   CHEMISTRY OF MATERIALS

Superconducting phases in a remarkable class of metallic ceramics

(2019) M.A. Hadi   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

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

External pressure effect on the electronic, optical and thermoelectric properties of the CdY 2 Ch 4 ( Ch = S, Se) spinel compounds: Via modified Becke–Johnson (mBJ) exchange potential

(2018) M. Batouche et al.   PHYSICA B-CONDENSED MATTER

Mechanical behavior, bonding nature and defect processes of Mo 2 ScAlC 2 : A new ordered MAX phase

(2017) M.A. Hadi et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The First-Principle Study of the Electronic Structure, Ferromagnetic and Thermoelectric Properties of Spinel Alloy FeAl2O4 Using mBJ Functional Approach

(2017) M. Yaseen et al.   Journal of Superconductivity and Novel Magnetism

High-pressure structural phase transition and electronic properties of the alkali hydrides compounds XH (X = Li, Na)

(2017) Raed Jaradat et al.   PHASE TRANSITIONS

High magnesium mobility in ternary spinel chalcogenides

(2017) Pieremanuele Canepa et al.   Nature Communications

Manipulating intrinsic behaviors of graphene by substituting alkaline earth metal atoms in its structure

(2017) Muhammad Rafique et al.   RSC Advances

A first-principles study on alkaline earth metal atom substituted monolayer boron nitride (BN)

(2017) Rafique Muhammad et al.   Journal of Materials Chemistry C

Structural, elastic, mechanical and thermodynamic properties of Terbium oxide: First-principles investigations

(2017) Samah Al-Qaisi et al.   Results in Physics

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

Physical properties of the recently discovered Zr2(Al1−x Bi x )C MAX phases

(2016) M. A. Hadi et al.   JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS

Electronic, structural and magnetic properties of TbO under pressure: FP-LAPW study

(2016) Samah Al-Qaisi et al.   PHASE TRANSITIONS

Elastic constants of cubic crystals

(2014) M. Jamal et al.   COMPUTATIONAL MATERIALS SCIENCE

Lattice Parameters and Stability of the Spinel Compounds in Relation to the Ionic Radii and Electronegativities of Constituting Chemical Elements

(2014) Mikhail G. Brik et al.   INORGANIC CHEMISTRY

Mutual alloying of XAs (X=Ga, In, Al) materials: Tuning the optoelectronic and thermodynamic properties for solar energy applications

(2013) Bakhtiar Ul Haq et al.   SOLAR ENERGY

Crystal Chemistry of CdIn2S4, MgIn2S4, and MnIn2S4 Thiospinels under High Pressure

(2012) D. Santamaría-Pérez et al.   Journal of Physical Chemistry C

Thermal stability and elastic properties of Mg2X (X=Si, Ge, Sn, Pb) phases from first-principle calculations

(2011) Dianwu Zhou et al.   COMPUTATIONAL MATERIALS SCIENCE

A lithium superionic conductor

(2011) Noriaki Kamaya et al.   NATURE MATERIALS

Full potential study of the elastic, electronic, and optical properties of spinels MgIn2S4 and CdIn2S4 under pressure effect

(2010) F. Semari et al.   JOURNAL OF SOLID STATE CHEMISTRY

Study of the Electronic Structure of Individual Free-Standing Germanium Nanodots Using Spectroscopic Scanning Capacitance Microscopy

(2009) Kin Mun Wong   JAPANESE JOURNAL OF APPLIED PHYSICS

Magnetic properties of the spinel systems ACr2X4 (A=Zn, Cd, Hg; X=S, Se)

(2009) R. Masrour   JOURNAL OF ALLOYS AND COMPOUNDS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

The stoichiometry of FeSe

(2009) A.J. Williams et al.   SOLID STATE COMMUNICATIONS

First-principles study of structural, electronic, and optical properties of

(2009) Hai Wang et al.   SOLID STATE COMMUNICATIONS

Elastic constants of binary Mg compounds from first-principles calculations

(2008) S. Ganeshan et al.   INTERMETALLICS