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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 -

OpenAccess

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

OpenAccess Restricted

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

OpenAccess

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

OpenAccess

5

Journal Article

Solution to the modified Helmholtz equation for arbitrary periodic charge densities

Winkelmann, Miriam
2021

Frontiers in physics, 8 (2021) S. 618142

OpenAccess

6

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

OpenAccess

7

Journal Article

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

Niu, Chengwang
2019

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

OpenAccess OpenAccess

8

Journal Article

Spin caloric transport from density-functional theory

Popescu, Voicu
2019

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

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

OpenAccess OpenAccess

10

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

OpenAccess OpenAccess

11

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

OpenAccess OpenAccess

12

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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13

Journal Article

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

Niu, Chengwang
2016

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

14

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

15

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

OpenAccess OpenAccess

16

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

OpenAccess OpenAccess

17

Journal Article

Charge and orbital order at head-to-head domain walls in PbTiO3

Rahmanizadeh, K.
2014

Physical Review B Physical review / B, 90 90 (2014 2014) 11 11, S. 115104 115104

OpenAccess

18

Journal Article

Spin-caloric transport properties of cobalt nanostructures: Spin disorder effects from first principles

Kováčik, Roman
2014

Physical Review B Physical review / B, 89 89 (2014 2014) 13 13, S. 134417 134417

OpenAccess

19

Journal Article

Quantum well states and amplified spin-dependent Friedel oscillations in thin films

Bouhassoune, Mohammed
2014

Nature Communications, 5 (2014) S. 5558

OpenAccess

20

Journal Article

Effect of structural modulation and thickness of a graphene overlayer on the binding energy of the Rashba-type surface state of Ir(111)

Sánchez-Barriga, J
2013

New journal of physics, 15 (2013) 11, S. 115009

OpenAccess

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