Subtle metastability of the layered magnetic topological insulator MnBi2Te4 from weak interactions

Quantum anomalous Hall effect in intrinsic magnetic topological insulator MnBi2Te4

(2020) Yujun Deng et al.   SCIENCE

Competing Magnetic Interactions in the Antiferromagnetic Topological Insulator MnBi2Te4

(2020) Bing Li et al.   PHYSICAL REVIEW LETTERS

High-Chern-Number and High-Temperature Quantum Hall Effect without Landau Levels

(2020) Jun Ge et al.   National Science Review

Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error

(2019) Yubo Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Beware of plausible predictions of fantasy materials

(2019) Alex Zunger   NATURE

Catalogue of topological electronic materials

(2019) Tiantian Zhang et al.   NATURE

Comprehensive search for topological materials using symmetry indicators

(2019) Feng Tang et al.   NATURE

A complete catalogue of high-quality topological materials

(2019) M. G. Vergniory et al.   NATURE

Chemical Aspects of the Candidate Antiferromagnetic Topological Insulator MnBi2Te4

(2019) Alexander Zeugner et al.   CHEMISTRY OF MATERIALS

Topological Axion States in the Magnetic Insulator MnBi2Te4 with the Quantized Magnetoelectric Effect

(2019) Dongqin Zhang et al.   PHYSICAL REVIEW LETTERS

Experimental Realization of an Intrinsic Magnetic Topological Insulator*

(2019) Yan Gong et al.   CHINESE PHYSICS LETTERS

Tunable catalytic activity of cobalt-intercalated layered MnO2 for water oxidation through confinement and local ordering

(2019) Jinliang Ning et al.   JOURNAL OF CATALYSIS

Intrinsic magnetic topological insulators in van der Waals layered MnBi2Te4-family materials

(2019) Jiaheng Li et al.   Science Advances

Crystal growth and magnetic structure of MnBi2Te4

(2019) J.-Q. Yan et al.   Physical Review Materials

Prediction and observation of an antiferromagnetic topological insulator

(2019) M. M. Otrokov et al.   NATURE

Competing stripe and magnetic phases in the cuprates from first principles

(2019) Yubo Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Double-slit photoelectron interference in strong-field ionization of the neon dimer

(2018) Maksim Kunitski et al.   Nature Communications

An efficient ab-initio quasiharmonic approach for the thermodynamics of solids

(2016) Liang-Feng Huang et al.   COMPUTATIONAL MATERIALS SCIENCE

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

(2016) Jianwei Sun et al.   Nature Chemistry

Colloquium: Topological band theory

(2016) A. Bansil et al.   REVIEWS OF MODERN PHYSICS

On the scaling factor in Debye–Grüneisen model: A case study of the Mg–Zn binary system

(2015) Xuan L. Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Vibrational and thermodynamic properties of GeSe in the quasiharmonic approximation

(2014) Volker L. Deringer et al.   PHYSICAL REVIEW B

Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4

(2013) Dong Sun Lee et al.   CRYSTENGCOMM

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

Nonlocal van der Waals density functional made simple and efficient

(2013) Riccardo Sabatini et al.   PHYSICAL REVIEW B

Fast free-energy calculations for unstable high-temperature phases

(2012) Nikolas Antolin et al.   PHYSICAL REVIEW B

Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies

(2012) Vladan Stevanović et al.   PHYSICAL REVIEW B

Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

(2011) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS

Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data

(2011) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS

Nonlocal van der Waals density functional: The simpler the better

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

Topological insulators and superconductors: tenfold way and dimensional hierarchy

(2010) Shinsei Ryu et al.   NEW JOURNAL OF PHYSICS

Rescaled Monte Carlo approach for magnetic systems:Ab initiothermodynamics of bcc iron

(2010) F. Körmann et al.   PHYSICAL REVIEW B

First-principles phonon calculations of thermal expansion inTi3SiC2,Ti3AlC2, andTi3GeC2

(2010) Atsushi Togo et al.   PHYSICAL REVIEW B

Density-Functional Perturbation Theory for Quasi-Harmonic Calculations

(2010) S. Baroni et al.   Reviews in Mineralogy & Geochemistry