A comprehensive computational investigations on the physical properties of TiXSb (X: Ru, Pt) half‐Heusler alloys and Ti 2 RuPtSb 2 double half‐Heusler

Prediction of a new quaternary Heusler alloy within a good electrical response at high temperature for spintronics applications: DFT calculations

(2021) Habib Rached   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The half metallic feature at high temperature of the novel half-Heusler alloys and their [100] oriented layered superlattices: A DFT investigations

(2021) Mohamed Hichem Elahmar et al.   MATERIALS CHEMISTRY AND PHYSICS

Electronic structure and optoelectronic behavior of MgPbP2 chalcopyrite

(2021) S. Morsli et al.   Computational Condensed Matter

Computational determination of structural, electronic, magnetic and thermodynamic properties of Co2HfZ (Z = Al, Ga, Si and Sn) full Heusler compounds for spintronic applications

(2021) H. Sadok Cherif et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Spin gapless semiconductor and nearly spin semimetal antiferromagnets: The case of the inverse Heusler compounds Mn2LiZ (Z = Al and Ga)

(2021) Tariq Hadji et al.   MATERIALS RESEARCH BULLETIN

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

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

Investigation of structural, electronic, magnetic and lattice dynamical properties for XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds

(2020) Gokhan Surucu et al.   PHYSICA B-CONDENSED MATTER

Electronic structure, optical and vibrational properties of Ti2FeNiSb2 and Ti2Ni2InSb double half heusler alloys

(2020) G. Uğur et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Anisotropies in elastic properties and thermal conductivities of trigonal TM2C (TM = V, Nb, Ta) carbides

(2019) Longke Bao et al.   SOLID STATE SCIENCES

IRelast package

(2018) M. Jamal et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Electronic and optical properties of C24, C12X6Y6, and X12Y12 (X = B, Al and Y = N, P)

(2018) Debolina Paul et al.   JOURNAL OF MOLECULAR MODELING

Observation of valence band crossing: the thermoelectric properties of CaZn2Sb2–CaMg2Sb2 solid solution

(2018) Max Wood et al.   Journal of Materials Chemistry A

High Thermoelectric Performance in SnTe–AgSbTe2 Alloys from Lattice Softening, Giant Phonon–Vacancy Scattering, and Valence Band Convergence

(2018) Gangjian Tan et al.   ACS Energy Letters

Investigation of electronic structure, magnetic properties and thermal properties of the new half-metallic ferromagnetic full-Heusler alloys Cr 2 GdSi 1−x Ge x : An ab-initio study

(2016) I. Asfour et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The Effect of Boron and Nitrogen Doping in Electronic, Magnetic, and Optical Properties of Graphyne

(2016) Barnali Bhattacharya et al.   Journal of Physical Chemistry C

Tuning band inversion symmetry of buckled III-Bi sheets by halogenation

(2016) R R Q Freitas et al.   NANOTECHNOLOGY

Feasibility of novel (H3C)nX(SiH3)3−n compounds (X = B, Al, Ga, In): structure, stability, reactivity, and Raman characterization from ab initio calculations

(2015) Renato B. dos Santos et al.   DALTON TRANSACTIONS

THE FIRST PRINCIPLES CALCULATION OF STRUCTURAL, ELECTRONIC AND MAGNETIC PROPERTIES OF MnXY (X = Ru, Rh AND Y = Ga, Ge, Sb) ALLOYS

(2011) S. M. MONIRI et al.   MODERN PHYSICS LETTERS B

Superconductivity in the topological semimetal YPtBi

(2011) N. P. Butch et al.   PHYSICAL REVIEW B

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS