Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z = Si and Ge)

Robust stability, half-metallic ferrimagnetism and thermoelectric properties of new quaternary Heusler material: A first principles approach

(2020) Shakeel Ahmad Khandy et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors

(2019) Shakeel Ahmad Khandy et al.   Scientific Reports

High-throughput screening for spin-gapless semiconductors in quaternary Heusler compounds

(2019) Qiang Gao et al.   PHYSICAL REVIEW MATERIALS

The effect of pressure and disorder on half-metallicity of CoRuFeSi Quaternary Heusler alloy

(2019) K. Seema   INTERMETALLICS

The electronic and magnetic proprieties of the rare earth-based quaternary Heusler compound LuCoVGe

(2019) S. Idrissi et al.   PHYSICA B-CONDENSED MATTER

Magnetic properties of the Heusler compound CoFeMnSi: Monte Carlo simulations

(2019) S. Idrissi et al.   PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Novel half-metallic L21 structured full-Heusler compound for promising spintronic applications: A DFT-based computer simulation

(2019) Shakeel Ahmad Khandy et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magneto-electronic, mechanical, thermoelectric and thermodynamic properties of ductile perovskite Ba2SmNbO6

(2019) Saveer Ahmad Khandy et al.   MATERIALS CHEMISTRY AND PHYSICS

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 and mechanical properties of half-metallic half-Heusler compounds CoCrZ (Z = S, Se, and Te)

(2018) Hai-Ming Huang et al.   Chinese Physics B

Structural, electronic, magnetic, elastic, and thermal properties of Co-based equiatomic quaternary Heusler alloys

(2018) Ramesh Paudel et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Electronic structure, mechanical and thermodynamic properties of BaPaO3 under pressure

(2018) Shakeel Ahmad Khandy et al.   JOURNAL OF MOLECULAR MODELING

Ab-initio study of electronic, magnetic and thermoelectric behaviors of LiV 2 O 4 and LiCr 2 O 4 using modified Becke-Johson (mBJ) potential

(2018) Saima Ali et al.   PHYSICA B-CONDENSED MATTER

Electronic, Magnetic, Half-Metallic, and Mechanical Properties of a New Equiatomic Quaternary Heusler Compound YRhTiGe: A First-Principles Study

(2018) Yilin Han et al.   Materials

First principles understanding of structural electronic and magnetic properties of new quaternary Heusler alloy: FeVRuSi

(2018) Shakeel Ahmad Khandy   Materials Research Express

First-Principles Calculations of Structural, Electronic, Magnetic and Elastic Properties of Heusler Alloys Ru2CoZ (Z = Si, Ge and Sn)

(2018) O. Baraka et al.   SPIN

FeTaSb and FeMnTiSb as promising thermoelectric materials: An ab initio approach

(2018) Mohd Zeeshan et al.   PHYSICAL REVIEW MATERIALS

Predicting the electronic structure, magnetism, and transport properties of new Co-based Heusler alloys

(2018) Shakeel Ahmad Khandy et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

The Electronic, Magnetic, Half-Metallic and Mechanical Properties of the Equiatomic Quaternary Heusler Compounds FeRhCrSi and FePdCrSi: A First-Principles Study

(2018) Liefeng Feng et al.   Applied Sciences-Basel

All-d-metal equiatomic quaternary Heusler hypothetical alloys ZnCdTMn (T = Fe, Ru, Os, Rh, Ir, Ni, Pd, Pt): A first-principle investigation of electronic structures, magnetism, and possible martensitic transformations

(2018) Yilin Han et al.   Results in Physics

Ab-Initio Prediction of Intrinsic Half-Metallicity in Binary Alkali–Metal Chalcogenides: KX (X=S, Se and Te)

(2018) N. Abbouni et al.   SPIN

Full Heusler alloys (Co2TaSi and Co2TaGe) as potential spintronic materials with tunable band profiles

(2018) Shakeel Ahmad Khandy et al.   JOURNAL OF SOLID STATE CHEMISTRY

High-Temperature and High-Pressure Study of Electronic and Thermal Properties of PbTaO3 and SnAlO3 Metal Perovskites by Density Functional Theory Calculations

(2017) Shakeel Ahmad Khandy, Ishtihadah Islam, Zahid Saleem Ganai et al.   JOURNAL OF ELECTRONIC MATERIALS

Electronic structure, magnetism and thermoelectricity in layered perovskites: Sr 2 SnMnO 6 and Sr 2 SnFeO 6

(2017) Shakeel Ahmad Khandy et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Giant thermoelectric performance of novel TaIrSn Half Heusler compound

(2017) Kulwinder Kaur et al.   PHYSICS LETTERS A

Origin of the Tetragonal Ground State of Heusler Compounds

(2017) Sergey V. Faleev et al.   Physical Review Applied

First-principles study on electronic structure, magnetism and half-metallicity of the NbCoCrAl and NbRhCrAl compounds

(2017) Y. Li et al.   Results in Physics

New quaternary half-metallic ferromagnets with large Curie temperatures

(2017) Ashis Kundu et al.   Scientific Reports

Structural, electronic, magnetic, half-metallic, mechanical, and thermodynamic properties of the quaternary Heusler compound FeCrRuSi: A first-principles study

(2017) Xiaotian Wang et al.   Scientific Reports

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

Structural stability, electronic and magnetic behaviour of spin-polarized YCoVZ (Z = Si, Ge) and YCoTiZ (Z = Si, Ge) Heusler alloys

(2016) Muhammad Nasir Rasool et al.   MATERIALS CHEMISTRY AND PHYSICS

Spin-filter and spin-gapless semiconductors: The case of Heusler compounds

(2016) I. Galanakis et al.   AIP Advances

Band engineering of high performance p-type FeNbSb based half-Heusler thermoelectric materials for figure of merit zT > 1

(2015) Chenguang Fu et al.   Energy & Environmental Science

Electronic structure, magnetism, and antisite disorder in CoFeCrGe and CoMnCrAl quaternary Heusler alloys

(2015) Enamullah et al.   PHYSICAL REVIEW B

Applicability of two-current model in understanding the electronic transport behavior of inverse Heusler alloy: Fe 2 CoSi

(2015) Sonu Sharma et al.   PHYSICS LETTERS A

A new spin gapless semiconductors family: Quaternary Heusler compounds

(2013) G. Z. Xu et al.   EPL

Slater-Pauling behavior in LiMgPdSn-type multifunctional quaternary Heusler materials: Half-metallicity, spin-gapless and magnetic semiconductors

(2013) K. Özdoğan et al.   JOURNAL OF APPLIED PHYSICS

Large half-metallic gaps in the quaternary Heusler alloys CoFeCrZ (Z=Al, Si, Ga, Ge): A first-principles study

(2012) G.Y. Gao et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Variation of half metallicity and magnetism of Cd1−xCrxZ (Z=S, Se and Te) DMS compounds on reducing dilute limit

(2012) Hardev S. Saini et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds

(2011) Mal-Soon Lee et al.   PHYSICAL REVIEW B

Electronic, structural, and magnetic properties of the half-metallic ferromagnetic quaternary Heusler compounds CoFeMnZ(Z=Al, Ga, Si, Ge)

(2011) Vajiheh Alijani et al.   PHYSICAL REVIEW B

Non-one-dimensional behavior in charge-ordered structurally quasi-one-dimensional Sr6Co5O15

(2011) A. S. Botana et al.   PHYSICAL REVIEW B

Generalized Gradient Approximation +UStudy for Metallization Mechanism of Niobium-Doped Anatase Titanium Dioxide

(2010) Nozomi Orita   JAPANESE JOURNAL OF APPLIED PHYSICS

Enhanced thermoelectric performance by the combination of alloying and doping in TiCoSb-based half-Heusler compounds

(2009) Pengfei Qiu et al.   JOURNAL OF APPLIED PHYSICS

Half-Metallic Semi-Dirac-Point Generated by Quantum Confinement inTiO2/VO2Nanostructures

(2009) Victor Pardo 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

Mn2CoZ(Z=Al,Ga,In,Si,Ge,Sn,Sb)compounds: Structural, electronic, and magnetic properties

(2008) G. D. Liu et al.   PHYSICAL REVIEW B