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

Electronic structure, magnetism and thermoelectric properties of double perovskite Sr 2 HoNbO 6

(2018) Shakeel Ahmad Khandy et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Investigation of structural, magneto-electronic, and thermoelectric response of ductile SnAlO3from high-throughput DFT calculations

(2017) Shakeel Ahmad Khandy et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Understanding Ferromagnetic Phase Stability, Electronic and Transport Properties of BaPaO3 and BaNpO3 from Ab-Initio Calculations

(2017) Shakeel Ahmad Khandy 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

Structural, elastic and magneto-electronic properties of half-metallic BaNpO 3 perovskite

(2017) Shakeel Ahmad Khandy et al.   MATERIALS CHEMISTRY AND PHYSICS

Emergence of thermoelectricity in Half Heusler topological semimetals with strain

(2017) Kulwinder Kaur et al.   PHYSICS LETTERS A

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

(2017) Shakeel Ahmad Khandy et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

L21 and XA ordering competition in titanium-based full-Heusler alloys

(2017) Xiaotian Wang et al.   Journal of Materials Chemistry C

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

Density-functional theory study of high hydrogen content complex hydrides Mg(BH 4 ) 2 at low temperature

(2016) Souraya Goumri-Said et al.   RENEWABLE ENERGY

Finding New Perovskite Halides via Machine Learning

(2016) Ghanshyam Pilania et al.   Frontiers in Materials

Tuning exchange bias

(2015) Per Nordblad   NATURE MATERIALS

Specific features of electronic structures and optical susceptibilities of g-BC3 and t-BC3 phases

(2015) A. H. Reshak   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States

(2015) Daniel I. Bilc et al.   PHYSICAL REVIEW LETTERS

The intrinsic disorder related alloy scattering in ZrNiSn half-Heusler thermoelectric materials

(2014) Hanhui Xie et al.   Scientific Reports

First-principle prediction of half-metallic ferrimagnetism in Mn-based full-Heusler alloys with highly ordered structure

(2013) H. Zenasni et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS