Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
Jan Kuneš,Jan Kuneš,Ryotaro Arita,Philipp Wissgott,Alessandro Toschi,Hiroaki Ikeda,Karsten Held +6 more
TLDR
An implementation of an interface between the full-potential linearized augmented plane wave package Wien2k and the wannier90 code for the construction of maximally localized Wannier functions is presented.About:
This article is published in Computer Physics Communications.The article was published on 2010-11-01 and is currently open access. It has received 368 citations till now. The article focuses on the topics: Wannier function.read more
Citations
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Phd by thesis
TL;DR: In this paper, a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) is presented.
Journal ArticleDOI
Maximally-localized Wannier Functions: Theory and Applications
TL;DR: In this paper, the authors present a survey of the use of Wannier functions in the context of electronic-structure theory, including their applications in analyzing the nature of chemical bonding, or as a local probe of phenomena related to electric polarization and orbital magnetization.
Journal ArticleDOI
WIEN2k: An APW+lo program for calculating the properties of solids
Peter Blaha,Karlheinz Schwarz,Fabien Tran,Robert Laskowski,Georg K. H. Madsen,Laurence D. Marks +5 more
TL;DR: The WIEN2k program is based on the augmented plane wave plus local orbitals (APW+lo) method to solve the Kohn-Sham equations of density functional theory, and the various options, properties, and available approximations for the exchange-correlation functional are mentioned.
Journal ArticleDOI
Giant Rashba-type spin splitting in bulk BiTeI
Kyoko Ishizaka,Mohammad Saeed Bahramy,H. Murakawa,M. Sakano,Takahiro Shimojima,T. Sonobe,K. Koizumi,Shik Shin,Hirokazu Miyahara,Akio Kimura,Koji Miyamoto,Taichi Okuda,Hirofumi Namatame,Masaki Taniguchi,Masaki Taniguchi,Ryotaro Arita,Naoto Nagaosa,Kensuke Kobayashi,Youichi Murakami,Reiji Kumai,Reiji Kumai,Yoshio Kaneko,Yoshinori Onose,Yoshinori Tokura +23 more
TL;DR: The finding of a huge spin-orbit interaction effect in a polar semiconductor composed of heavy elements, BiTeI, where the bulk carriers are ruled by large Rashba-likespin splitting is described, confirming that the spin splitting is indeed derived from bulk atomic configurations.
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Superconductivity protected by spin-valley locking in ion-gated MoS2
Yu Saito,Yasuharu Nakamura,Yasuharu Nakamura,Mohammad Saeed Bahramy,Mohammad Saeed Bahramy,Yoshimitsu Kohama,Jianting Ye,Yuichi Kasahara,Yuji Nakagawa,Masaru Onga,Masashi Tokunaga,Tsutomu Nojima,Youichi Yanase,Youichi Yanase,Yoshihiro Iwasa,Yoshihiro Iwasa +15 more
TL;DR: In this paper, the electric field-induced superconductivity in molybdenum disulphide (MoS2) was investigated by means of magneto-transport measurements, uncovering evidence of spin-momentum locking.
References
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Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Journal ArticleDOI
Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
Journal ArticleDOI
Phd by thesis
TL;DR: In this paper, a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) is presented.
Journal ArticleDOI
Iron-Based Layered Superconductor La[O1-xFx]FeAs (x = 0.05−0.12) with Tc = 26 K
TL;DR: It is reported that a layered iron-based compound LaOFeAs undergoes superconducting transition under doping with F- ions at the O2- site and exhibits a trapezoid shape dependence on the F- content.
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