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

Investigation of Structural and Elastic Stability, Electronic, Magnetic, Thermoelectric, Lattice-Dynamical and Thermodynamical Properties of Spin Gapless Semiconducting Heusler Alloy Zr2MnIn Using DFT Approach

(2019) Pratik D. Patel et al.   JOURNAL OF ELECTRONIC MATERIALS

A promising thermoelectric response of fully compensated ferrimagnetic spin gapless semiconducting Heusler alloy Zr2MnAl at high temperature: DFT study

(2019) Pratik D Patel et al.   Materials Research Express

First-principles study on a new all-d-metal full-Heusler-based shape-memory alloy Cd2MnPd

(2019) Zongbin Chen et al.   SPIN

Electronic, magnetic, and thermodynamic properties of rhombohedral Dysprosium Manganite and discussions of effects of uniform strain, spin-orbit coupling, hole and electron doping on its electronic structures

(2019) Xiaotian Wang et al.   JOURNAL OF SOLID STATE CHEMISTRY

Magneto-electronic properties and tetragonal deformation of rare-earth-element-based quaternary Heusler half-metals: A first-principles prediction

(2018) Xiaotian Wang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Investigation of spin polarized band structure, magnetism, and mechanical properties of new gapless Zr 2 NbX (X= Al, Ga, In) Heusler alloys

(2018) Saleem Yousuf et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Phase stability, magnetic, electronic, half-metallic and mechanical properties of a new equiatomic quaternary Heusler compound ZrRhTiIn: A first-principles investigation

(2018) Jia-Xing Wang et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Electronic, magnetic, thermoelectric and lattice dynamical properties of full heusler alloy Mn2RhSi: DFT study

(2018) Pratik D. Patel et al.   PHYSICA B-CONDENSED MATTER

Atomic ordering, magnetic properties, and electronic structure of Mn2CoGa Heusler alloy

(2018) Rie Y Umetsu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Strain Conditions for the Inverse Heusler Type Fully Compensated Spin-Gapless Semiconductor Ti2MnAl: A First-Principles Study

(2018) Tie Yang et al.   Materials

Structural, Electronic, Magnetic, Mechanic and Thermodynamic Properties of the Inverse Heusler Alloy Ti2NiIn Under Pressure

(2018) Tie Yang et al.   Crystals

Competition of XA and L21B ordering in Heusler alloys Mn2CoZ (Z = Al, Ga, Si, Ge and Sb) and its influence on electronic structure

(2017) Yuepeng Xin et al.   INTERMETALLICS

First principles study on Fe based ferromagnetic quaternary Heusler alloys

(2017) A. Amudhavalli et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Half-metallicity and magnetism of quaternary Heusler compounds CoRuTiZ (Z=Si, Ge, and Sn)

(2017) S. Bahramian et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Half-metallicity and magnetism of Heusler alloys Co 2 HfZ (Z = Al, Ga, Ge, Sn)

(2017) Salma Babiker A. et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magnetic and transport properties of as-prepared Mn 2 CoGa

(2017) M. Seredina et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Prediction of half-metallic properties in TlCrS 2 and TlCrSe 2 based on density functional theory

(2017) F.M. Hashimzade et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First-principles study of mechanical, exchange interactions and the robustness in Co 2 MnSi full Heusler compounds

(2017) A. Akriche et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Electronic structure and half-metallicity in new Heusler alloys CoYO 2 (Y = Sc, Ti, V, Cr, Mn, Fe, Ni, Cu, and Zn)

(2017) S. Esteki et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Topological Type-II Nodal Line Semimetal and Dirac Semimetal State in Stable Kagome Compound Mg3Bi2

(2017) Xiaoming Zhang et al.   Journal of Physical Chemistry Letters

Rare earth-based quaternary Heusler compounds MCoVZ (M = Lu, Y; Z = Si, Ge) with tunable band characteristics for potential spintronic applications

(2017) Xiaotian Wang et al.   IUCrJ

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

Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds

(2016) P. Lukashev et al.   APPLIED PHYSICS LETTERS

FCC Fe 2 NiSi prepared by mechanical alloying and stabilization effect of L2 1 B disorder on BCC Heusler structure

(2016) Hongzhi Luo et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First principle investigations of the structural, electronic and magnetic properties of predicted new zirconium based full-Heusler compounds, Zr2MnZ (Z=Al, Ga and In)

(2016) A. Birsan et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First-principles calculated spin-gapless semiconducting behavior in quaternary VCoHfGa and CrFeHfGa Heusler compounds

(2016) Xiude Yang et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

First-principles calculated spin-gapless semiconducting behavior in quaternary VCoHfGa and CrFeHfGa Heusler compounds

(2016) Xiude Yang et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Evolution of the microstructure and magnetic properties of as-cast and melt spun Fe2NiAl alloy during aging

(2015) V.P. Menushenkov et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

First principles study of a new half-metallic ferrimagnets Mn2-based full Heusler compounds: Mn2ZrSi and Mn2ZrGe

(2015) A. Abada et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magnetic properties and possible martensitic transformation in Mn2NiSi and Ni2MnSi Heusler alloys

(2014) Qing-Long Fang et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Search for spin gapless semiconductors: The case of inverse Heusler compounds

(2013) S. Skaftouros et al.   APPLIED PHYSICS LETTERS

A new spin gapless semiconductors family: Quaternary Heusler compounds

(2013) G. Z. Xu et al.   EPL

First-principles study of antisite defects effect on electronic and magnetic properties of Mn2+xCo1−xGa

(2013) X.F. Zhu et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magnetic properties and origin of the half-metallicity of Ti2MnZ (Z=Al, Ga, In, Si, Ge, Sn) Heusler alloys with the Hg2CuTi-type structure

(2013) Qing-Long Fang et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Generalized Slater-Pauling rule for the inverse Heusler compounds

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

Realization of Spin Gapless Semiconductors: The Heusler CompoundMn2CoAl

(2013) Siham Ouardi et al.   PHYSICAL REVIEW LETTERS

Prediction of half metallic properties in Heusler alloy based on density functional theory

(2012) A. Birsan et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Tuning the magnetism of the Heusler alloys Mn3−xCoxGa from soft and half-metallic to hard-magnetic for spin-transfer torque applications

(2011) Vajiheh Alijani et al.   APPLIED PHYSICS LETTERS

Slater–Pauling behavior and half-metallicity in Heusler alloys Mn2CuZ (Z=Ge and Sb)

(2011) Hongzhi Luo et al.   COMPUTATIONAL MATERIALS SCIENCE

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

Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data

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

Exchange interactions and Curie temperatures of Mn2CoZ compounds

(2011) Markus Meinert et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initioprediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn2TiZ Heusler compounds

(2010) M Meinert et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Zero-gap materials for future spintronics, electronics and optics

(2010) Xiao-Lin Wang et al.   NPG Asia Materials

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

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

Density functional study of elastic and vibrational properties of the Heusler-type alloysFe2VAlandFe2VGa

(2009) V. Kanchana et al.   PHYSICAL REVIEW B

Half-metallic properties for the Mn2FeZ (Z=Al, Ga, Si, Ge, Sb) Heusler alloys: A first-principles study

(2008) H. Z. Luo et al.   JOURNAL OF APPLIED PHYSICS

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

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

Proposal for a New Class of Materials: Spin Gapless Semiconductors

(2008) X. L. Wang   PHYSICAL REVIEW LETTERS

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