Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L21 and xa phases of Ti2fege heusler compound: GGA and GGA+U methods

Structural, magnetic, electronic, thermoelectric, optical and elastic properties of Co2Mn1-xTixGe Heusler alloys

(2022) M.Y. Raia et al.   CHEMICAL PHYSICS LETTERS

Investigations of martensitic, thermodynamics, elastic, electronic, magnetic, thermal and thermoelectric properties of Co2FeZ Heusler alloys (Z=Si; Ge; Al; Ga): a first principle study

(2022) M. Y. Raïâ et al.   MOLECULAR PHYSICS

Structural, electronic, magnetic, optical and thermoelectric properties of Co2Fe1−xTixAl alloys: GGA and GGA+U approaches

(2022) M. Y. Raïâ et al.   JOURNAL OF MATERIALS RESEARCH

Stability, magnetic, electronic, elastic, thermodynamic, optical, and thermoelectric properties of Co2TiSn, Co2ZrSn and Co2HfSn Heusler alloys from calculations using generalized gradient approximation techniques

(2022) Moulay Youssef Raïâ et al.   JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS

Effect of L21 and XA ordering on structural, martensitic, electronic, magnetic, elastic, thermal and thermoelectric properties of Co2FeGe Heusler alloys

(2022) M.Y. Raïâ et al.   SOLID STATE COMMUNICATIONS

Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations

(2022) M. Y. Raïâ et al.   Journal of Superconductivity and Novel Magnetism

Diluted effect on the structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of the Heusler alloys Co2Fe1−xTixGa: GGA and GGA + U approaches

(2022) M. Y. Raïâ et al.   OPTICAL AND QUANTUM ELECTRONICS

First‐principles study on structural, electronic, magnetic, elastic, mechanical and thermodynamic properties of Mn 2 PtCo Heusler alloy

(2021) Vipul Srivastava et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Structural, electronic, elastic, magnetic, phonon and thermodynamic properties of inverse-Heusler-Ti2FeX (X=Si, Ge, and Sn): Insights from DFT-based computer simulation

(2021) M. Özduran et al.   Materials Today Communications

Co2CrGa as a novel promising thermoelectric and magnetocaloric material

(2021) Y.E.L. KRIMI et al.   Materials Today Energy

Structural, electronic, magnetic and thermoelectric properties of Full-Heusler Fe2MnSi: Ab initio calculations

(2020) Y. El Krimi et al.   Results in Physics

Study of structural, elastic, thermal, electronic and magnetic properties of Heusler Mn2NiGe: An Ab initio calculations and Monte Carlo simulations

(2020) R. Masrour et al.   Materials Today Communications

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

(2019) Shakeel Ahmad Khandy et al.   Scientific Reports

Understanding the magneto-structural coupling of Ni50Mn35.4In14.6 alloy from first-principles calculations

(2019) Jinlong Wang et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Thermoelectric Properties of Heusler Fe2TiSn Alloys

(2019) Hiroshi Nakatsugawa et al.   JOURNAL OF ELECTRONIC MATERIALS

Structural, magnetic, electronic and mechanical properties of full-Heusler alloys Co 2 YAl (Y = Fe, Ti): First principles calculations with different exchange-correlation potentials

(2018) Belkharroubi Fadila et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magneto-electronic, thermal, and thermoelectric properties of some Co-based quaternary alloys

(2018) Tahir Mohiuddin Bhat et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

The structural, electronic, elastic, thermodynamic, magnetic, and optical properties of the yttrium-based full-Heusler alloys Y 2 CrZ (Z=Si, Ge, Sn)

(2018) Xu-Hui Kang et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Investigation of structural, electronic, anisotropic elastic, and lattice dynamical properties of MAX phases borides: An Ab-initio study on hypothetical M 2 AB (M =  Ti , Zr , Hf ; A =  Al , Ga , In ) compounds

(2018) Gokhan Surucu   MATERIALS CHEMISTRY AND PHYSICS

171 Scandium-based full Heusler compounds: A comprehensive study of competition between XA and L21 atomic ordering

(2018) Yilin Han et al.   Results in Physics

Structural, elastic, thermodynamic and thermoelectric properties of Fe2TiSn Heusler alloy: High pressure study

(2018) Tahir Mohiuddin Bhat et al.   Results in Physics

Complete martensitic transformation sequence and magnetic properties of non-stoichiometric Ni2Mn1.2Ga0.8 alloy by first-principles calculations

(2018) J. Bai et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First-principles study of the structure, electronic, magnetic and elastic properties of half-Heusler compounds LiXGe (X = Ca, Sr and Ba)

(2017) Jing-Sheng Zhao et al.   INTERMETALLICS

First-principle investigation of structural, electronic and magnetic properties of Co2VIn and CoVIn Heusler compounds

(2017) Muthui Zipporah et al.   AIP Advances

First-Principles Study on the Structural, Electronic, Magnetic and Thermodynamic Properties of Full Heusler Alloys Co2VZ (Z = Al, Ga)

(2016) Ali Bentouaf et al.   JOURNAL OF ELECTRONIC MATERIALS

Electronic, magnetic and thermal properties of Co2CrxFe1−xX (X=Al, Si) Heusler alloys: First-principles calculations

(2016) M. Guezlane et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First-principles study on structural, electronic, elastic and thermodynamic properties of the full-Heusler alloys Co2YZ (Y=Sc, Cr and Z=Al, Ga)

(2015) Yang Li et al.   EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS

Mechanical, electronic and thermodynamic properties of full Heusler compounds Fe2VX(X = Al, Ga)

(2015) M. Khalfa et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

The Directional Dependence of Elastic Stiffness and Compliance Shear Coefficients and Shear Moduli in Cubic Materials

(2014) Kevin M. Knowles et al.   JOURNAL OF ELASTICITY

Ti2FeZ (Z=Al, Ga, Ge) alloys: Structural, electronic, and magnetic properties

(2014) Mao Liping et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Investigation of the electronic and thermoelectric properties of Fe2ScX (X = P, As and Sb) full Heusler alloys by using first principles calculations

(2014) Sonu Sharma et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Large Noncollinearity and Spin Reorientation in the NovelMn2RhSnHeusler Magnet

(2014) O. Meshcheriakova et al.   PHYSICAL REVIEW LETTERS

ElaStic: A tool for calculating second-order elastic constants from first principles

(2013) Rostam Golesorkhtabar et al.   COMPUTER PHYSICS COMMUNICATIONS

First-principles investigations of stability, electronic and thermodynamic properties of Ti2FeGe and Ti2FeSn

(2013) Xiao-Ping Wei et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Disorder-induced cubic phase in Fe2-based Heusler alloys

(2013) Janos Kiss et al.   PHYSICAL REVIEW B

Generalized Slater-Pauling rule for the inverse Heusler compounds

(2013) S. Skaftouros et al.   PHYSICAL REVIEW B

Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes

(2013) Debnarayan Jana et al.   PROGRESS IN MATERIALS SCIENCE

Half-metallic Ferromagnetism in the Ti2FeGe Heusler Compound: A First-Principles Study

(2012) F. Ahmadian   Journal of Superconductivity and Novel Magnetism

Half-metallic state and magnetic properties versus the lattice constant in Heusler compound: An ab initio study

(2012) A. Birsan et al.   SOLID STATE COMMUNICATIONS

Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

(2011) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS

Half-metallic ferrimagnetism in the Ti2CoAl Heusler compound

(2011) Eser Bayar et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

A first-principle study of half-metallic ferrimagnetism in the Ti2CoGa Heusler compound

(2011) Nazmiye Kervan et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Half-metallic properties of Ti2FeSi full-Heusler compound

(2011) Nazmiye Kervan et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

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

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

Simple rules for the understanding of Heusler compounds

(2011) Tanja Graf et al.   PROGRESS IN SOLID STATE CHEMISTRY

Spintronic properties of the Ti2CoB Heusler compound by density functional theory

(2011) Selçuk Kervan et al.   SOLID STATE COMMUNICATIONS

Theoretical study of electronic, magnetic and structural properties of Mo and W based group V (N, P, As, Sb and Bi) compounds

(2010) G. Jaiganesh et al.   COMPUTATIONAL MATERIALS SCIENCE

Electronic band structure matching for half- and full-Heusler alloys

(2010) V. Ko et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1−xCoxX (X=S, Se, Te)

(2010) Y. Saeed et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Electronic, magnetic and transport properties of Co2TiZ (Z=Si, Ge and Sn): A first-principle study

(2010) Vinit Sharma et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

A better ferrimagnetic half-metal LuCu3Mn4O12: Predicted from first-principles investigation

(2010) Shuhui Lv et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Half metallic properties of Sr2CuOsO6

(2009) Weiyu Song et al.   CHEMICAL PHYSICS LETTERS

Near compensated half-metal in Sr2NiOsO6

(2009) Weiyu Song et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles electronic and magnetic properties of the half-metallic antiferromagnet

(2009) K. Özdog˜an et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magnetic properties of Heusler alloys: Theory and experiment

(2009) S. Chatterjee et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Electronic structure and transport properties of the Heusler compound Co2TiAl

(2009) Tanja Graf et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures

(2008) Hongzhi Fu et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principle prediction of half-metallic properties for the Heusler alloys V2YSb (Y=Cr, Mn, Fe, Co)

(2008) Naisheng Xing et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles study of half-metallic ferromagnetism in Zn1−xCrxSe

(2008) Xin-feng Ge et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Band structure calculations for Heusler phase Co2YBi and half-Heusler phase CoYBi (Y=Mn, Cr)

(2008) Jia Li et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Effect of site preference of 3d atoms on the electronic structure and half-metallicity of Heusler alloy Mn2YAl

(2008) Hongzhi Luo et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Complex thermoelectric materials

(2008) G. Jeffrey Snyder et al.   NATURE MATERIALS

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

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

Half-metallic ferromagnets: From band structure to many-body effects

(2008) M. I. Katsnelson et al.   REVIEWS OF MODERN PHYSICS

Half-metallic ferromagnetism in Cr-doped AlP—density functional calculations

(2008) Yong Zhang et al.   SOLID STATE COMMUNICATIONS

First-principle prediction of half-metallic ferrimagnetism of the Heusler alloys Mn2CoZ (Z=Al, Ga, Si, Ge) with a high-ordered structure

(2007) Naisheng Xing et al.   COMPUTATIONAL MATERIALS SCIENCE

Prediction of half-metallic properties for the Heusler alloys Mn2CrZ (Z=Al, Ga, Si, Ge, Sb): A first-principles study

(2007) Hongzhi Luo et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS