Study of elecronic and transport properties of some topological semimetals XPtBi(X=Gd,Nd,Y) compounds

Influence of f Electrons on the Electronic Band Structure of Rare-Earth Nickelates

(2023) Andrzej Ptok et al.   Condensed Matter

First-principles calculations to investigate structural, electronic, mechanical, optical, thermophysical and vibrational properties of TaFeSb

(2022) Atul Gour et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

First-Principles Investigation of Structural, Thermoelectric, and Optical Properties of Half-Heusler Compound ScRhTe under Varied Pressure

(2022) Junhong Wei et al.   Crystals

Tunable phase transitions in half-Heusler TbPtBi compound

(2022) Pratik D Patel et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

(2021) Nicole E. Kirchner-Hall et al.   Applied Sciences-Basel

Effect of spin-orbital coupling on the electronic, mechanical, thermoelectric, and vibrational properties of XPtBi (X = Sc and Y): A first-principles study

(2021) Megha Goyal et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

WloopPHI: A tool for ab initio characterization of Weyl semimetals

(2021) Himanshu Saini et al.   COMPUTER PHYSICS COMMUNICATIONS

Automated high-throughput Wannierisation

(2020) Valerio Vitale et al.   npj Computational Materials

Electronic structure of the PrNiBi half-Heusler system based on the σGGA + U method

(2019) L. Mikaeilzadeh et al.   Scientific Reports

Semi-metals as potential thermoelectric materials

(2018) Maxime Markov et al.   Scientific Reports

Anomalous Hall effect in Weyl semimetal half-Heusler compounds RPtBi (R = Gd and Nd)

(2018) Chandra Shekhar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

GGA + U and mBJ + U study of the optoelectronic, magnetic and thermoelectric properties of the SmAlO3 compound with spin–orbit coupling

(2016) Sandeep Chettri et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

First principles study of three dimensional topological phases of GdxY1−xPtBi (x=0, 0.25, 0.5, 0.75, 1) alloys

(2015) Z. Nourbakhsh et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

BerryPI: A software for studying polarization of crystalline solids with WIEN2k density functional all-electron package

(2012) S.J. Ahmed et al.   COMPUTER PHYSICS COMMUNICATIONS

Superconductivity in the topological semimetal YPtBi

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

Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions

(2010) Jan Kuneš et al.   COMPUTER PHYSICS COMMUNICATIONS

Topological electronic structure in half-Heusler topological insulators

(2010) W. Al-Sawai et al.   PHYSICAL REVIEW B

Colloquium: Topological insulators

(2010) M. Z. Hasan et al.   REVIEWS OF MODERN PHYSICS

Magnetic and Electronic Properties ofRENiBi (RE = Pr, Sm, Gd-Tm, Lu) Compounds

(2008) Frederick Casper et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE