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DensityTool: A post-processing tool for space- and spin-resolved density of states from VASP

Computer physics communications, 2022-08, Vol.277, p.108384, Article 108384

2022

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Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials

Journal of chemical theory and computation, 2020-04, Vol.16 (4), p.2654-2660

2020

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First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-02, Vol.125 (6), p.1325-1335

2021

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Electronic Structure of Molecules, Surfaces, and Molecules on Surfaces with the Local Modified Becke–Johnson Exchange–Correlation Potential

Journal of chemical theory and computation, 2021-08, Vol.17 (8), p.4746-4755

2021

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Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals

The Journal of chemical physics, 2021-09, Vol.155 (10), p.104103-104103

2021

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Impact of the Topological Surface State on the Thermoelectric Transport in Sb2Te3 Thin Films

ACS nano, 2015-04, Vol.9 (4), p.4406-4411

2015

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Dual topological character of chalcogenides: theory for Bi2Te3

Physical review letters, 2014-01, Vol.112 (1), p.016802-016802

2014

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Pressure-induced topological phase transitions in rocksalt chalcogenides

Physical review. B, Condensed matter and materials physics, 2013-07, Vol.88 (4), Article 045207

2013

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Geometric and nongeometric contributions to the surface anomalous Hall conductivity

Physical review. B, 2018-09, Vol.98 (11), p.115108, Article 115108

2018

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Exploring flat-band properties in two-dimensional M3QX7 compounds

Physical chemistry chemical physics : PCCP, 2024-08, Vol.26 (32), p.21558-21567

2024

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Gapless hinge states from adiabatic pumping of axion coupling

Physical review. B, 2020-07, Vol.102 (3), p.1, Article 035166

2020

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Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study

The Journal of chemical physics, 2022-09, Vol.157 (12), p.124108-124108

2022

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Mirror Chern numbers in the hybrid Wannier representation

Physical review. B, 2021-05, Vol.103 (19), p.1, Article 195103

2021

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Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential

Physical review. B, 2020-06, Vol.101 (24), p.1, Article 245163

2020

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Defect levels from SCAN and MBJ meta-GGA exchange-correlation potentials

Physical review. B, 2021-08, Vol.104 (6), Article 064105

2021

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Band alignment at the strontium germanate interface with silicon

Physical review. B, 2023-03, Vol.107 (11), Article 115303

2023

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Nontrivial interface states confined between two topological insulators

Physical review. B, Condensed matter and materials physics, 2013-12, Vol.88 (24), Article 245120

2013

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Local spin Hall conductivity

Physical review. B, 2020-02, Vol.101 (6), p.1, Article 064206

2020

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Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires

Advanced science, 2022-04, Vol.9 (12), p.e2105722-n/a

2022

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Spin Chirality Tuning and Topological Semimetals in Strained HgTexS1-x

Physical review letters, 2015-06, Vol.114 (23)

2015

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Computational prediction and characterization of CuI-based ternary p-type transparent conductors

Journal of materials chemistry. C, Materials for optical and electronic devices, 2024, Vol.12 (23), p.832-8333

2024

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Model for ferromagnetic Weyl and nodal line semimetals: Topological invariants, surface states, anomalous and spin Hall effect

Physical review. B, 2017-12, Vol.96 (23), Article 235103

2017

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Double band inversion in α -Sn: Appearance of topological surface states and the role of orbital composition

Physical review. B, 2017-04, Vol.95 (16), p.161117(R), Article 161117

2017

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Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb

Physical review. B, 2016-10, Vol.94 (15), p.155132, Article 155132

2016

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Multiple topological nontrivial phases in strained HgxCd1−xTe

Physical review. B, 2017-07, Vol.96 (3)

2017

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DensityTool: A post-processing tool for space- and spin-resolved density of states from VASP

Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials

First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride

Electronic Structure of Molecules, Surfaces, and Molecules on Surfaces with the Local Modified Becke–Johnson Exchange–Correlation Potential

Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals

Impact of the Topological Surface State on the Thermoelectric Transport in Sb2Te3 Thin Films

Dual topological character of chalcogenides: theory for Bi2Te3

Pressure-induced topological phase transitions in rocksalt chalcogenides

Geometric and nongeometric contributions to the surface anomalous Hall conductivity

Exploring flat-band properties in two-dimensional M3QX7 compounds

Gapless hinge states from adiabatic pumping of axion coupling

Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study

Mirror Chern numbers in the hybrid Wannier representation

Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential

Defect levels from SCAN and MBJ meta-GGA exchange-correlation potentials

Band alignment at the strontium germanate interface with silicon

Nontrivial interface states confined between two topological insulators

Local spin Hall conductivity

Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires

Spin Chirality Tuning and Topological Semimetals in Strained HgTexS1-x

Computational prediction and characterization of CuI-based ternary p-type transparent conductors

Model for ferromagnetic Weyl and nodal line semimetals: Topological invariants, surface states, anomalous and spin Hall effect

Double band inversion in α -Sn: Appearance of topological surface states and the role of orbital composition

Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb

Multiple topological nontrivial phases in strained HgxCd1−xTe

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