Exploring electronic, structural, magnetic and thermoelectric properties of novel Ba2EuMoO6 double perovskite

Spintronic devices: a promising alternative to CMOS devices

(2021) Prashanth Barla et al.   Journal of Computational Electronics

Defective perovskites Cs2SeCl6 and Cs2TeCl6 as novel high temperature potential thermoelectric materials

(2021) Malak Azmat Ali et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

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

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

Magnetic semiconductor properties of RbLnSe2 (Ln = Ce, Pr, Nd, Gd): A density functional study

(2020) Lahcene Azzouz et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Insight into pressure tunable structural, electronic and optical properties of "Equation missing" No EquationSource Format="TEX", only image via DFT calculations

(2020) Malak Azmat Ali et al.   European Physical Journal Plus

Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K 2 OsX 6 (X = Cl, Br) compounds

(2020) Rehan Ullah et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

The significance of anti‐fluorite Cs 2 NbI 6 via its structural, electronic, magnetic, optical and thermoelectric properties

(2020) Rehan Ullah et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

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

Ab-initio study of the structural, electronic and magnetic properties of double-perovskite Sr2BUO6 (B = Mn, Ni, and Zn) compounds

(2020) Ahmad A. Mousa et al.   PHYSICA B-CONDENSED MATTER

New tolerance factor to predict the stability of perovskite oxides and halides

(2019) Christopher J. Bartel et al.   Science Advances

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

Phase Stability and Magnetic Properties of Mn3Z (Z = Al, Ga, In, Tl, Ge, Sn, Pb) Heusler Alloys

(2019) Haopeng Zhang et al.   Applied Sciences-Basel

Thermoelectric, Structural, Optoelectronic and Magnetic properties of double perovskite Sr2CrTaO6: First principle Study

(2019) S. Haid et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

DFT Investigations of Structural, Magnetic, Electronic, and Optical Properties of CsEuCl3

(2019) Malak Azmat Ali et al.   Journal of Superconductivity and Novel Magnetism

Exploration of electronic structure, mechanical stability, magnetism, and thermophysical properties of L2 1 structured Co 2 XSb (X = Sc and Ti) ferromagnets

(2019) Shakeel Ahmad Sofi et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Magnetic and thermoelectric properties of ordered double perovskite Ba 2 FeMoO 6

(2017) O. Sahnoun et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Synthesis and characterization of Sr2TiMO6(M = Fe,Co) double perovskites for high temperature thermoelectric applications

(2016) Pinku Roy et al.   INTEGRATED FERROELECTRICS

Appealing Perspectives of Hybrid Lead–Iodide Perovskites as Thermoelectric Materials

(2016) A. Filippetti et al.   Journal of Physical Chemistry C

Thermoelectric properties of highly-mismatched alloys of GaNxAs1−x from first- to second-principles methods: energy conversion

(2016) A. H. Reshak   RSC Advances

Structure and Growth Control of Organic-Inorganic Halide Perovskites for Optoelectronics: From Polycrystalline Films to Single Crystals

(2016) Yani Chen et al.   Advanced Science

First-principles design of spintronics materials

(2016) Xingxing Li et al.   National Science Review

Optoelectronic Properties of (CH3NH3)3Sb2I9 Thin Films for Photovoltaic Applications

(2016) Jan-Christoph Hebig et al.   ACS Energy Letters

Electronic, thermoelectric and magnetic properties of La2NiMnO6 and La2CoMnO6

(2015) Mazhar Ullah et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

The influence of B′(5d)-site substitution on structural, electronic and magnetic properties of Mn-based Ba 2 MnB′O 6 (B′ = W, Re and Os): DFT-LSDA(+ U ) computational approaches

(2015) M. Musa Saad H.-E.   Computational and Theoretical Chemistry

Fe2MnSixGe1−x: influence thermoelectric properties of varying the germanium content

(2014) A. H. Reshak   RSC Advances

Study of the half-metallic materials double perovskites Sr2ZnBO6 (B=Tc, Re, Ru, Os, Co, Pd, and Au) via first-principle calculations

(2013) Y.P. Liu et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First principles study of structural and vibrational properties of Ba2YTaO6 in cubic and tetragonal phases

(2012) Karandeep et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Electronic structures and structural phase transition mechanism of from first-principles calculations

(2012) San-Dong Guo et al.   PHYSICA B-CONDENSED MATTER

Computational design of low-band-gap double perovskites

(2012) Robert F. Berger et al.   PHYSICAL REVIEW B

Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities

(2011) T. Fukushima et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials

(2011) Wahyu Setyawan et al.   ACS Combinatorial Science

Relaxor-like dielectric behavior in La2NiMnO6 double perovskite ceramics

(2009) Y.Q. Lin et al.   SOLID STATE COMMUNICATIONS

Simultaneous Jahn-Teller distortion and magnetic order in the double perovskiteBa2S154mMoO6

(2008) A. C. Mclaughlin   PHYSICAL REVIEW B

Intrinsically Minimal Thermal Conductivity in CubicI−V−VI2Semiconductors

(2008) D. T. Morelli et al.   PHYSICAL REVIEW LETTERS