Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects

Chiral phonons in binary compounds ABi (A = K, Rb, Cs) with P21/c structure

(2023) Jakub Skórka et al.   Materials Today Communications

Population analysis with Wannier orbitals

(2021) Sudipta Kundu et al.   JOURNAL OF CHEMICAL PHYSICS

Superconductivity on a Bi Square Net in LiBi

(2020) Karolina Górnicka et al.   CHEMISTRY OF MATERIALS

Bismuth—The Magic Element

(2020) Mercouri Kanatzidis et al.   INORGANIC CHEMISTRY

ReSpect: Relativistic spectroscopy DFT program package

(2020) Michal Repisky et al.   JOURNAL OF CHEMICAL PHYSICS

A new quasi-one-dimensional compound Ba3TiTe5 and superconductivity induced by pressure

(2019) Jun Zhang et al.   NPG Asia Materials

Bismuth as a Reactive Solvent in the Synthesis of Multicomponent Transition-Metal-Bearing Bismuthides

(2019) Alexander Ovchinnikov et al.   INORGANIC CHEMISTRY

The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds

(2018) Simon Steinberg et al.   Crystals

Topological quantum chemistry

(2017) Barry Bradlyn et al.   NATURE

Chemical Pressure Schemes for the Prediction of Soft Phonon Modes: A Chemist’s Guide to the Vibrations of Solid State Materials

(2016) Joshua Engelkemier et al.   CHEMISTRY OF MATERIALS

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Type-I superconductivity in KBi2single crystals

(2016) Shanshan Sun et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Superconductivity in CaBi2

(2016) M. J. Winiarski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Superconductivity in LaBi3with AuCu3-type structure

(2016) Tatsuya Kinjo et al.   SUPERCONDUCTOR SCIENCE & TECHNOLOGY

Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

(2016) D. F. Shao et al.   Scientific Reports

Characterization of the physicochemical properties of novel SnS 2 with cubic structure and diamond-like Sn sublattice

(2015) Xin Liu et al.   ACTA MATERIALIA

Electron Flow in Reaction Mechanisms-Revealed from First Principles

(2015) Gerald Knizia et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Weyl semimetal from spontaneous inversion symmetry breaking in pyrochlore oxides

(2015) Tomáš Bzdušek et al.   PHYSICAL REVIEW B

Large enhancement of superconducting transition temperature of SrBi3 induced by Na substitution for Sr

(2015) Akira Iyo et al.   Scientific Reports

Pseudopotentials periodic table: From H to Pu

(2014) Andrea Dal Corso   COMPUTATIONAL MATERIALS SCIENCE

Some Statistics on Intermetallic Compounds

(2014) Julia Dshemuchadse et al.   INORGANIC CHEMISTRY

Superconducting properties and electronic structure of NaBi

(2014) S K Kushwaha et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Superconductivity in the Hypervalent Compound Ba2Bi(Sb1−xBix)2with a Square-Honeycomb Lattice

(2014) Takeshi Yajima et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Superconductivity in the intermetallic pnictide compoundCa11Bi10−x

(2014) Mihai Sturza et al.   PHYSICAL REVIEW B

Superconductivity at 4.4 K in Ba2Bi3

(2014) A Iyo et al.   SUPERCONDUCTOR SCIENCE & TECHNOLOGY

Superconducting properties of BaBi3

(2014) Neel Haldolaarachchige et al.   SUPERCONDUCTOR SCIENCE & TECHNOLOGY

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Relativistic Effects in Chemistry: More Common Than You Thought

(2012) Pekka Pyykkö   Annual Review of Physical Chemistry

Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory

(2012) Benjamin D. Dunnington et al.   Journal of Chemical Theory and Computation

Type-I superconductivity in YbSb2single crystals

(2012) Liang L. Zhao et al.   PHYSICAL REVIEW B

Phonon softening and superconductivity triggered by spin-orbit coupling in simple-cubicα-polonium crystals

(2012) Chang-Jong Kang et al.   PHYSICAL REVIEW B

Type-I superconductivity in ScGa3and LuGa3single crystals

(2012) E. Svanidze et al.   PHYSICAL REVIEW B

Phases of Polonium via Density Functional Theory

(2010) Matthieu J. Verstraete   PHYSICAL REVIEW LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

RbSb2- Eine mit KSb2verwandte Zintl-Phase

(2008) Denis Petri et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE