JuLib | Articles & more

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

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

6

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

7

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

8

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

9

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

10

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

OpenAccess OpenAccess

11

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

12

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

13

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

Get full text OpenAccess OpenAccess

14

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

Get full text OpenAccess OpenAccess

15

Journal Article

Maximally localized Wannier functions within the FLAPW formalism

Freimuth, F.
2008

Physical Review B Physical review / B, 78 78 (2008 2008) 3 3, S. 035120 035120

Get full text OpenAccess

16

Journal Article

Image Potential and Field States at Ag(100) and Fe(110) Surfaces

Hanuschkin, A.
2007

Physical Review B Physical review / B, 76 76 (2007 2007) 16 16, S. 165417 165417

Get full text OpenAccess

17

Journal Article

Spin-polarized tunneling between an antiferromagnet and a ferromagnet: First-principles calculations and transport theory

Enkovaara, J.
2007

Physical Review B Physical review / B, 76 76 (2007 2007) 5 5, S. 054437 054437

Get full text OpenAccess

18

Journal Article

Spin-polarized field emission from Ni(001) and Ni(111) surfaces

Ohwaki, T.
2006

Physical Review B Physical review / B, 73 73 (2006 2006) 23 23, S. 235424 235424

Get full text OpenAccess

Narrow Search Results