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Title: Quasiparticle self-consistent G W band structure of CrN

Authors:
; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1599506
Grant/Contract Number:  
SC0008933
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 101 Journal Issue: 8; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Cheiwchanchamnangij, Tawinan, and Lambrecht, Walter R. L. Quasiparticle self-consistent G W band structure of CrN. United States: N. p., 2020. Web. doi:10.1103/PhysRevB.101.085103.
Cheiwchanchamnangij, Tawinan, & Lambrecht, Walter R. L. Quasiparticle self-consistent G W band structure of CrN. United States. doi:10.1103/PhysRevB.101.085103.
Cheiwchanchamnangij, Tawinan, and Lambrecht, Walter R. L. Tue . "Quasiparticle self-consistent G W band structure of CrN". United States. doi:10.1103/PhysRevB.101.085103.
@article{osti_1599506,
title = {Quasiparticle self-consistent G W band structure of CrN},
author = {Cheiwchanchamnangij, Tawinan and Lambrecht, Walter R. L.},
abstractNote = {},
doi = {10.1103/PhysRevB.101.085103},
journal = {Physical Review B},
number = 8,
volume = 101,
place = {United States},
year = {2020},
month = {2}
}

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Works referenced in this record:

Evidence for a Correlated Insulator to Antiferromagnetic Metal Transition in CrN
journal, June 2010


Electronic structure of CrN: A comparison between different exchange correlation potentials
journal, June 2012


Insights into the atomic and electronic structure triggered by ordered nitrogen vacancies in CrN
journal, January 2013


Projector augmented-wave method
journal, December 1994


Equation of state of paramagnetic CrN from ab initio molecular dynamics
journal, April 2012


Antiferromagnetic Structure of CrN
journal, February 1960


Synthesis of TiN, VN, and CrN from Ammonolysis of TiS2, VS2, and Cr2S3
journal, November 1997

  • Subramanya Herle, P.; Hegde, M. S.; Vasathacharya, N. Y.
  • Journal of Solid State Chemistry, Vol. 134, Issue 1
  • DOI: 10.1006/jssc.1997.7554

Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO
journal, January 2018


Reduction of the bulk modulus at high pressure in CrN
journal, October 2009

  • Rivadulla, Francisco; Bañobre-López, Manuel; Quintela, Camilo X.
  • Nature Materials, Vol. 8, Issue 12
  • DOI: 10.1038/nmat2549

Strain fields and electronic structure of antiferromagnetic CrN
journal, September 2017


Conducting states caused by a surface electric dipole in CrN(001) very thin films
journal, February 2013


Nonsingular Hankel functions as a new basis for electronic structure calculations
journal, June 1998

  • Bott, E.; Methfessel, M.; Krabs, W.
  • Journal of Mathematical Physics, Vol. 39, Issue 6
  • DOI: 10.1063/1.532437

Band gap in epitaxial NaCl-structure CrN(001) layers
journal, May 2002

  • Gall, D.; Shin, C. -S.; Haasch, R. T.
  • Journal of Applied Physics, Vol. 91, Issue 9
  • DOI: 10.1063/1.1466528

Exchange interactions in paramagnetic amorphous and disordered crystalline CrN -based systems
journal, August 2013


Quasiparticle Self-Consistent G W Theory
journal, June 2006


A comparative study of transport properties in polycrystalline and epitaxial chromium nitride films
journal, January 2013

  • Duan, X. F.; Mi, W. B.; Guo, Z. B.
  • Journal of Applied Physics, Vol. 113, Issue 2
  • DOI: 10.1063/1.4772682

Infrared study of the magnetostructural phase transition in correlated CrN
journal, November 2016


Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN
journal, November 2010


Inhomogeneous Electron Gas
journal, November 1964


Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991

  • Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
  • Physical Review B, Vol. 44, Issue 3, p. 943-954
  • DOI: 10.1103/PhysRevB.44.943

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995


Role of N defects in paramagnetic CrN at finite temperatures from first principles
journal, March 2015


Surface morphological evolution of epitaxial CrN(001) layers
journal, September 2005

  • Frederick, J. R.; Gall, D.
  • Journal of Applied Physics, Vol. 98, Issue 5
  • DOI: 10.1063/1.2035307

CrN electronic structure and vibrational modes: An optical analysis
journal, July 2010


Accurate energy bands calculated by the hybrid quasiparticle self-consistent GW method implemented in the ecalj package
journal, March 2016

  • Deguchi, Daiki; Sato, Kazunori; Kino, Hiori
  • Japanese Journal of Applied Physics, Vol. 55, Issue 5
  • DOI: 10.7567/JJAP.55.051201

Metal/semiconductor phase transition in chromium nitride(001) grown by rf-plasma-assisted molecular-beam epitaxy
journal, December 2004

  • Constantin, Costel; Haider, Muhammad B.; Ingram, David
  • Applied Physics Letters, Vol. 85, Issue 26
  • DOI: 10.1063/1.1836878

Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment
journal, November 2014


Energetics and electronic structure of native point defects in antiferromagnetic CrN
journal, December 2018


Fusion of the LAPW and LMTO methods: The augmented plane wave plus muffin-tin orbital method
journal, March 2010


Experimental invalidation of phase-transition-induced elastic softening in CrN
journal, August 2012


Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique
journal, April 2020

  • Pashov, Dimitar; Acharya, Swagata; Lambrecht, Walter R. L.
  • Computer Physics Communications, Vol. 249
  • DOI: 10.1016/j.cpc.2019.107065

A local exchange-correlation potential for the spin polarized case. i
journal, July 1972


Ab Initio Prediction of Conduction Band Spin Splitting in Zinc Blende Semiconductors
journal, March 2006


Quasiparticle self-consistent G W method: A basis for the independent-particle approximation
journal, October 2007


Electronic and magnetic phase diagram of Cr 1 x V x N
journal, December 2010


Magnetic and optical properties of the InCrN system
journal, August 2005

  • Anderson, P. A.; Kinsey, R. J.; Durbin, S. M.
  • Journal of Applied Physics, Vol. 98, Issue 4
  • DOI: 10.1063/1.1993753

Competition between magnetic and structural transitions in CrN
journal, March 1999


Variable-range hopping conduction in epitaxial CrN(001)
journal, April 2011


Growth of epitaxial CrN on MgO(001): Role of deposition angle on surface morphological evolution
journal, January 2006


Mott gapping in 3 d A B O 3 perovskites without Mott-Hubbard interelectronic repulsion energy U
journal, July 2019


Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab initio molecular dynamics
journal, May 2014


Origin of band gaps in 3d perovskite oxides
journal, April 2019


Magnetic Stress as a Driving Force of Structural Distortions: The Case of CrN
journal, December 2000


Electronic structure of CrN: A borderline Mott insulator
journal, January 2009


Epitaxial suppression of the metal-insulator transition in CrN
journal, August 2011


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965