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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

Solution to the modified Helmholtz equation for arbitrary periodic charge densities

Winkelmann, Miriam
2021

Frontiers in physics, 8 (2021) S. 618142

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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

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7

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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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

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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13

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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14

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

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15

Journal Article

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

Bouhassoune, Mohammed
2014

Nature Communications, 5 (2014) S. 5558

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16

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

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17

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

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18

Journal Article

Elemental Topological Insulator with Tunable Fermi Level: Strained α-Sn on InSb(001)

Barfuss, A.
2013

Physical review letters, 111 (2013) 15, S. 157205

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19

Journal Article

Quantum electron confinement in closely matched metals: Au films on Ag(111)

Topwal, D.
2012

Physical Review B Physical review / B, 86 86 (2012 2012) 8 8, S. 085419 085419

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20

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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