Insight view of double perovskites Ba 2 XNbO 6 (X = Ho,Yb) for spintronics and thermoelectric applications

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

Ab Initio Study of the Structural, Electronic, Magnetic, Mechanical and Thermodynamic Properties of Full-Heusler Mn2CoGa

(2019) Liyu Hao et al.   JOURNAL OF ELECTRONIC MATERIALS

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

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

(2019) Ab Quyoom Seh et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Structural, elastic, mechanical, electronic, magnetic, thermoelectric and thermodynamic investigation of half metallic double perovskite oxide Sr2MnTaO6

(2019) Sajad Ahmad Dar et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First principle study of mechanical stability, magneto-electronic and thermodynamic properties of double perovskites: A2MgWO6 (A = Ca, Sr)

(2019) Shabir Ahmad Mir et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Study of ferromagnetism, spin-polarization, thermoelectrics and thermodynamics of layered perovskite Ba2FeMnO6 under pressure and temperature

(2019) Saveer Ahmad Khandy et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Electronic structure, magnetism and elastic properties of Inverse Perovskite Carbide: A first principles study

(2019) Shakeel Ahmad Khandy et al.   PHYSICA B-CONDENSED MATTER

Electronic structure, magnetism and thermoelectric properties of double perovskite Sr 2 HoNbO 6

(2018) Shakeel Ahmad Khandy et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Development of Perovskite-Type Materials for Thermoelectric Application

(2018) Tingjun Wu et al.   Materials

Recent advances in Dirac spin-gapless semiconductors

(2018) Xiaotian Wang et al.   Applied Physics Reviews

Ab-initio study of structural, elastic, thermal, electronic and magnetic properties of quaternary Heusler alloys CoMnCrZ (Z = Al, As, Si, Ge)

(2016) Mohamed Walid Mohamedi et al.   EUROPEAN PHYSICAL JOURNAL B

First-principles study of structural, elastic, thermodynamic, electronic and magnetic properties for the quaternary Heusler alloys CoRuFeZ (Z = Si, Ge, Sn)

(2016) K. Benkaddour et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

(2016) Tahir Mohiuddin Bhat et al.   JOURNAL OF ELECTRONIC MATERIALS

Recent advances in the Heusler based spin-gapless semiconductors

(2016) Xiaotian Wang et al.   Journal of Materials Chemistry C

First-principles design of spintronics materials

(2016) Xingxing Li et al.   National Science Review

Metagenomic sequencing reveals the relationship between microbiota composition and quality of Chinese Rice Wine

(2016) Xutao Hong et al.   Scientific Reports

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

(2015) Zhen Li et al.   CHEMISTRY OF MATERIALS

A2B′B″O6 perovskites: A review

(2015) Sami Vasala et al.   PROGRESS IN SOLID STATE CHEMISTRY

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

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

Elastic and phonon properties of quaternary Heusler alloys CoFeCrZ (Z = Al, Si, Ga and Ge) from density functional theory

(2014) A. İyigör et al.   PHILOSOPHICAL MAGAZINE LETTERS

Lattice vibrational modes and phonon thermal conductivity of monolayer MoS2

(2014) Yongqing Cai et al.   PHYSICAL REVIEW B

Local electronic and magnetic studies of an artificial La2FeCrO6 double perovskite

(2010) Benjamin Gray et al.   APPLIED PHYSICS LETTERS

Doping-dependent thermopower of PbTe from Boltzmann transport calculations

(2010) David J. Singh   PHYSICAL REVIEW B

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Moderate to large magneto-optical signals in high Tc double perovskites

(2008) Hena Das et al.   APPLIED PHYSICS LETTERS

A topological Dirac insulator in a quantum spin Hall phase

(2008) D. Hsieh et al.   NATURE