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1

Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *

Gerhorst, Christian-Roman
2024

Electronic structure, 6 (2024) 1, S. 017001 -

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2

Journal Article

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Bosoni, Emanuele
2024

Nature reviews / Physics, 6 (2024) S. 45-58

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3

Journal Article

Fast All-Electron Hybrid Functionals and Their Application to Rare-Earth Iron Garnets

Redies, Matthias
2022

Frontiers in Materials, 9 (2022) S. 851458

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4

Journal Article

Common workflows for computing material properties using different quantum engines

Huber, Sebastiaan P.
2021

npj computational materials, 7 (2021) 1, S. 136

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5

Journal Article

Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations

Winkelmann, Miriam
2020

Physical Review B Physical review / B, 102 102 (2020 2020) 19 19, S. 195138 195138

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6

Journal Article

Mixed topological semimetals driven by orbital complexity in two-dimensional ferromagnets

Niu, Chengwang
2019

Nature Communications, 10 (2019) 1, S. 3179

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7

Journal Article

Spin caloric transport from density-functional theory

Popescu, Voicu
2019

Journal of physics / D Applied physics D, 52 (2019) 7, S. 073001

8

Journal Article

Robust dual topological character with spin-valley polarization in a monolayer of the Dirac semimetal Na 3 Bi

Niu, Chengwang
2017

Physical Review B Physical review / B, 95 95 (2017 2017) 7 7, S. 075404 075404

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9

Journal Article

Topological invariants of band insulators derived from the local-orbital based embedding potential

Ishida, H.
2017

Physical Review B Physical review / B, 96 96 (2017 2017) 12 12, S. 125413 125413

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10

Journal Article

Two-dimensional topological nodal line semimetal in layered X 2 Y ( X = Ca , Sr, and Ba; Y = As , Sb, and Bi)

Niu, Chengwang
2017

Physical Review B Physical review / B, 95 95 (2017 2017) 23 23, S. 235138 235138

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11

Journal Article

Relationship between embedding-potential eigenvalues and topological invariants of time-reversal invariant band insulators

Ishida, H.
2016

Physical Review B Physical review / B, 93 93 (2016 2016) 11 11, S. 115415 115415

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12

Journal Article

Two-dimensional topological crystalline insulator phase in quantum wells of trivial insulators

Niu, Chengwang
2016

2D Materials, 3 (2016) 2, S. 025037

13

Journal Article

Two-Dimensional Topological Crystalline Insulator and Topological Phase Transition in TlSe and TlS Monolayers

Niu, Chengwang
2015

Nano letters, 15 (2015) 9, S. 6071 - 6075

14

Journal Article

Functionalized bismuth films: Giant gap quantum spin Hall and valley-polarized quantum anomalous Hall states

Niu, Chengwang
2015

Physical Review B Physical review / B, 91 91 (2015 2015) 4 4, S. 041303 041303

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15

Journal Article

Topological crystalline insulator and quantum anomalous Hall states in IV-VI-based monolayers and their quantum wells

Niu, Chengwang
2015

Physical Review B Physical review / B, 91 91 (2015 2015) 20 20, S. 201401 201401

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16

Journal Article

Influence of the electronic structure on tunneling through ferroelectric insulators: Application to BaTiO3 and PbTiO33

Wortmann, D.
2011

Physical Review B Physical review / B, 83 83 (2011 2011) 15 15, S. 155114 155114

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17

Journal Article

Probing the electronic transmission across a buried metal/metal interface

Moras, P.
2010

Physical Review B Physical review / B, 82 82 (2010 2010) 15 15, S. 155427 155427

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