First principles investigation of the structural, elastic, electronic and vibrational properties of vanadium-based V3X (X = Fe, Co, and Ni) compounds

Structural, elastic, magnetic and electronic properties of Ti-based Heusler alloys

(2020) R. Murugeswari et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Influence of alloying elements on the structural stability, elastic, hardness and thermodynamic properties of Mo5SiB2 from first-principles calculations

(2020) Yong Pan et al.   CERAMICS INTERNATIONAL

Exploring the real ground-state structures of W3Si silicides from first-principles calculations

(2020) Chunying Pu et al.   COMPUTATIONAL MATERIALS SCIENCE

Structural, elastic, electronic, bonding, and optical properties of topological CaSn3 semimetal

(2020) M.I. Naher et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A study of structural, electronic, elastic, phonon properties, and transition mechanism of wurtzite CdTe under high pressure

(2020) Çağatay Yamçiçier et al.   SOLID STATE SCIENCES

Insight into structural, electronic, elastic and thermal properties of A15-type Nb3X (X = Si, Ge, Sn and Pb) compounds

(2020) Ying Wu et al.   Materials Today Communications

Exploring the novel structure, elastic and thermodynamic properties of W3Si silicides from first-principles calculations

(2019) Y. Pan et al.   CERAMICS INTERNATIONAL

A study on magnetic, electronic, elastic and vibrational properties of Ir2MnAl Heusler alloy for spintronic applications

(2019) A Candan   Materials Research Express

Magnetic, Electronic, Mechanic, Anisotropic Elastic and Vibrational Properties of Antiferromagnetic Ru2TGa (T = Cr, Mn, and Co) Heusler Alloys

(2019) A. Candan   JOURNAL OF ELECTRONIC MATERIALS

Thermodynamic and mechanical stability of Ni3X-type intermetallic compounds

(2019) Nada Kulo et al.   INTERMETALLICS

The Mechanical Properties and Elastic Anisotropies of Cubic Ni3Al from First Principles Calculations

(2018) Xinghe Luan et al.   Crystals

Predictions of phase stabilities, electronic structures and optical properties of potential superhard WB3

(2018) Dan Liu et al.   CERAMICS INTERNATIONAL

ELATE: an open-source online application for analysis and visualization of elastic tensors

(2016) Romain Gaillac et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Structural, elastic and thermodynamic properties of A15-type compounds V3X (X = Ir, Pt and Au) from first-principles calculations

(2016) Mingliang Wang et al.   MODERN PHYSICS LETTERS B

First principle calculations of elastic and thermodynamic properties of Ir3Nb and Ir3V with L12 structure under high pressure

(2015) Na Liu et al.   INTERMETALLICS

Structural, chemical bonding, electronic and magnetic properties of KMF3 (M=Mn, Fe, Co, Ni) compounds

(2014) Hayatullah et al.   COMPUTATIONAL MATERIALS SCIENCE

Phase Equilibria of the Sn-Ni-V System at 800°C

(2014) Changjun Wu et al.   JOURNAL OF ELECTRONIC MATERIALS

Ab-initio study of the structural, electronic, elastic and vibrational properties of the intermetallic Pd3V and Pt3V alloys in the L12 phase

(2014) N. Arıkan et al.   METALS AND MATERIALS INTERNATIONAL

Structural, elastic, electronic and phonon properties of scandium-based compounds ScX3 (X=Ir, Pd, Pt and Rh): An ab initio study

(2013) N. Arıkan et al.   COMPUTATIONAL MATERIALS SCIENCE

Mechanical properties and bonding feature of the YAg, CeAg, HoCu, LaAg, LaZn, and LaMg rare-earth intermetallic compounds: An ab initio study

(2013) A. Sekkal et al.   INTERMETALLICS

Topologically close-packed phases in binary transition-metal compounds: matching high-throughputab initiocalculations to an empirical structure map

(2013) T Hammerschmidt et al.   NEW JOURNAL OF PHYSICS

Prediction of hydrogen permeability in V–Al and V–Ni alloys

(2012) Jae-Hyeok Shim et al.   JOURNAL OF MEMBRANE SCIENCE

Prediction and Hydrogen Acceleration of Ordering in Iron-Vanadium Alloys

(2012) J. Bloch et al.   PHYSICAL REVIEW LETTERS

Theoretical prediction of the structural, elastic, electronic and thermodynamic properties of V3M (M=Si, Ge and Sn) compounds

(2012) T. Chihi et al.   SUPERLATTICES AND MICROSTRUCTURES

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

Studies of high-temperature electron–phonon interactions with inelastic neutron scattering and first-principles computations

(2010) O. Delaire   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Thermo-elastic and lattice dynamical properties of Rh3Hf compound

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

Structural and lattice dynamical properties of Zintl NaIn and NaTl compounds

(2010) H.B. Ozisik et al.   COMPUTATIONAL MATERIALS SCIENCE

Effects of composition, temperature, and magnetism on phonons in bcc Fe-V alloys

(2010) M. S. Lucas et al.   PHYSICAL REVIEW B

Band structure calculations in isoelectronic B compounds: BNi, Pd and Pt

(2010) C. Paduani et al.   SOLID STATE COMMUNICATIONS

Electronic structure of A15-type compounds: V3Co, V3Rh,V3Ir and V3Os

(2009) C. Paduani et al.   EUROPEAN PHYSICAL JOURNAL B

The lattice dynamical and thermo-elastic properties of Rh3X (X=Ti, V) compounds

(2009) G. Surucu et al.   INTERMETALLICS

Electron-phonon interactions and high-temperature thermodynamics of vanadium and its alloys

(2008) O. Delaire et al.   PHYSICAL REVIEW B