Dynamic and structural stability of cubic vanadium nitride

Mei, A. B.; Hellman, O.; Wireklint, N.; Schlepütz, C. M.; Sangiovanni, D. G.; Alling, B.; Rockett, A.; Hultman, L.; Petrov, I.; Greene, J. E.

doi:10.1103/PhysRevB.91.054101

Title: Dynamic and structural stability of cubic vanadium nitride

Journal Article · Mon Feb 02 00:00:00 EST 2015 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.91.054101· OSTI ID:1180541

Mei, A. B.; Hellman, O.; Wireklint, N.; Schlepütz, C. M.; Sangiovanni, D. G.; Alling, B.; Rockett, A.; Hultman, L.; Petrov, I.; Greene, J. E.

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1180541

Journal Information:: Physical Review B, Journal Name: Physical Review B Vol. 91 Journal Issue: 5; ISSN 1098-0121

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 65 works

Citation information provided by
Web of Science

References (57)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Lattice instabilities in metallic elements Grimvall, Göran; Magyari-Köpe, Blanka; Ozoliņš, Vidvuds Reviews of Modern Physics, Vol. 84, Issue 2 https://doi.org/10.1103/RevModPhys.84.945	journal	June 2012
Universality of the Mott–Ioffe–Regel limit in metals Hussey ‖, N. E.; Takenaka, K.; Takagi, H. Philosophical Magazine, Vol. 84, Issue 27 https://doi.org/10.1080/14786430410001716944	journal	September 2004
Material selection for hard coatings Holleck, H. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 4, Issue 6 https://doi.org/10.1116/1.573700	journal	November 1986
Phonon Dispersion and Electron-Phonon Coupling in ${MgB}_{2}$ and ${AlB}_{2}$ Bohnen, K. -P.; Heid, R.; Renker, B. Physical Review Letters, Vol. 86, Issue 25 https://doi.org/10.1103/PhysRevLett.86.5771	journal	June 2001
Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium Kohn, W.; Rostoker, N. Physical Review, Vol. 94, Issue 5 https://doi.org/10.1103/PhysRev.94.1111	journal	June 1954
Electron–phonon renormalization and phonon anharmonicity in metals Zhang, Peihong; Xue, Yu; Dev, Pratibha Solid State Communications, Vol. 148, Issue 3-4 https://doi.org/10.1016/j.ssc.2008.07.034	journal	October 2008
Phonon related properties of transition metals, their carbides, and nitrides: A first-principles study Isaev, E. I.; Simak, S. I.; Abrikosov, I. A. Journal of Applied Physics, Vol. 101, Issue 12 https://doi.org/10.1063/1.2747230	journal	June 2007
Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications Ebert, H.; Ködderitzsch, D.; Minár, J. Reports on Progress in Physics, Vol. 74, Issue 9 https://doi.org/10.1088/0034-4885/74/9/096501	journal	August 2011
Determination of strain in epitaxial semiconductor layers by high-resolution X-ray diffraction Sluis, P. van der Journal of Physics D: Applied Physics, Vol. 26, Issue 4A https://doi.org/10.1088/0022-3727/26/4A/039	journal	April 1993
Phonon anomalies in transition metal nitrides: δ-NbN Christensen, A. N.; Dietrich, O. W.; Kress, W. Solid State Communications, Vol. 31, Issue 11 https://doi.org/10.1016/0038-1098(79)90390-9	journal	September 1979
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Temperature dependent phase stability of nanolaminated ternaries from first-principles calculations Thore, A.; Dahlqvist, M.; Alling, B. Computational Materials Science, Vol. 91 https://doi.org/10.1016/j.commatsci.2014.04.055	journal	August 2014
Growth, surface morphology, and electrical resistivity of fully strained substoichiometric epitaxial TiNx (0.67⩽x<1.0) layers on MgO(001) Shin, C. -S.; Rudenja, S.; Gall, D. Journal of Applied Physics, Vol. 95, Issue 1 https://doi.org/10.1063/1.1629155	journal	January 2004
Phonon softening and the phase transition in VN Ivashchenko, V. I.; Turchi, P. E. A. Physical Review B, Vol. 78, Issue 22 https://doi.org/10.1103/PhysRevB.78.224113	journal	December 2008
Ioffe-Regel criterion and resistivity of metals Gurvitch, M. Physical Review B, Vol. 24, Issue 12 https://doi.org/10.1103/PhysRevB.24.7404	journal	December 1981
Enhancement of the finite-frequency superfluid response in the pseudogap regime of strongly disordered superconducting films Mondal, Mintu; Kamlapure, Anand; Ganguli, Somesh Chandra Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep01357	journal	February 2013
Heteroepitaxial wurtzite and zinc‐blende structure GaN grown by reactive‐ion molecular‐beam epitaxy: Growth kinetics, microstructure, and properties Powell, R. C.; Lee, N. ‐E.; Kim, Y. ‐W. Journal of Applied Physics, Vol. 73, Issue 1 https://doi.org/10.1063/1.353882	journal	January 1993
Einführung in die Quantenchemie Hellmann, Hans Hans Hellmann: Einführung in die Quantenchemie https://doi.org/10.1007/978-3-662-45967-6_2	book	January 2015
Structural phase transition at 205 K in stoichiometric vanadium nitride Kubel, F.; Lengauer, W.; Yvon, K. Physical Review B, Vol. 38, Issue 18 https://doi.org/10.1103/PhysRevB.38.12908	journal	December 1988
BoltzTraP. A code for calculating band-structure dependent quantities Madsen, Georg K. H.; Singh, David J. Computer Physics Communications, Vol. 175, Issue 1 https://doi.org/10.1016/j.cpc.2006.03.007	journal	July 2006
Functional designed to include surface effects in self-consistent density functional theory Armiento, R.; Mattsson, A. E. Physical Review B, Vol. 72, Issue 8 https://doi.org/10.1103/PhysRevB.72.085108	journal	August 2005
Use of an externally applied axial magnetic field to control ion/neutral flux ratios incident at the substrate during magnetron sputter deposition Petrov, I.; Adibi, F.; Greene, J. E. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 10, Issue 5 https://doi.org/10.1116/1.577812	journal	September 1992
On the calculation of the energy of a Bloch wave in a metal Korringa, J. Physica, Vol. 13, Issue 6-7 https://doi.org/10.1016/0031-8914(47)90013-X	journal	August 1947
Improved physics in SIMNRA 7 Mayer, M. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 332 https://doi.org/10.1016/j.nimb.2014.02.056	journal	August 2014
Superconducting and normal-state properties of vanadium nitride Zhao, B. R.; Chen, L.; Luo, H. L. Physical Review B, Vol. 29, Issue 11 https://doi.org/10.1103/PhysRevB.29.6198	journal	June 1984
The Boltzmann Equation in the Theory of Electrical Conduction in Metals Greenwood, D. A. Proceedings of the Physical Society, Vol. 71, Issue 4 https://doi.org/10.1088/0370-1328/71/4/306	journal	April 1958
Epitaxial suppression of the metal-insulator transition in CrN Zhang, X. Y.; Chawla, J. S.; Deng, R. P. Physical Review B, Vol. 84, Issue 7 https://doi.org/10.1103/PhysRevB.84.073101	journal	August 2011
Umklapp electron-electron scattering and the low-temperature electrical resistivity of the alkali metals MacDonald, A. H.; Taylor, Roger; Geldart, D. J. W. Physical Review B, Vol. 23, Issue 6 https://doi.org/10.1103/PhysRevB.23.2718	journal	March 1981
A molecular dynamics method for simulations in the canonical ensemble Nosé, Shūichi Molecular Physics, Vol. 52, Issue 2 https://doi.org/10.1080/00268978400101201	journal	June 1984
Phonon Anomalies in VN and Their Electronic Origin Weber, W.; Roedhammer, P.; Pintschovius, L. Physical Review Letters, Vol. 43, Issue 12 https://doi.org/10.1103/PhysRevLett.43.868	journal	September 1979
Phase composition and microstructure of polycrystalline and epitaxial TaNx layers grown on oxidized Si(001) and MgO(001) by reactive magnetron sputter deposition Shin, C. -S.; Kim, Y. -W.; Gall, D. Thin Solid Films, Vol. 402, Issue 1-2 https://doi.org/10.1016/S0040-6090(01)01618-2	journal	January 2002
Growth and physical properties of epitaxial HfN layers on MgO(001) Seo, H. -S.; Lee, T. -Y.; Wen, J. G. Journal of Applied Physics, Vol. 96, Issue 1 https://doi.org/10.1063/1.1759783	journal	July 2004
Electron-phonon interaction in the normal and superconducting states of ${MgB}_{2}$ Kong, Y.; Dolgov, O. V.; Jepsen, O. Physical Review B, Vol. 64, Issue 2 https://doi.org/10.1103/PhysRevB.64.020501	journal	May 2001
Forces in Molecules Feynman, R. P. Physical Review, Vol. 56, Issue 4 https://doi.org/10.1103/PhysRev.56.340	journal	August 1939
Ab initio molecular dynamics for open-shell transition metals Kresse, G.; Hafner, J. Physical Review B, Vol. 48, Issue 17 https://doi.org/10.1103/PhysRevB.48.13115	journal	November 1993
Temperature dependent effective potential method for accurate free energy calculations of solids Hellman, Olle; Steneteg, Peter; Abrikosov, I. A. Physical Review B, Vol. 87, Issue 10 https://doi.org/10.1103/PhysRevB.87.104111	journal	March 2013
A powder X-ray diffraction and Landau theory investigation of the cubic to tetragonal phase transition in NbN1 − x Kim, S. -J; Franzen, H. F. Journal of the Less Common Metals, Vol. 143, Issue 1-2 https://doi.org/10.1016/0022-5088(88)90056-2	journal	October 1988
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Colloquium : Saturation of electrical resistivity Gunnarsson, O.; Calandra, M.; Han, J. E. Reviews of Modern Physics, Vol. 75, Issue 4 https://doi.org/10.1103/RevModPhys.75.1085	journal	October 2003
Soft Ferroelectric Modes in Lead Titanate Shirane, G.; Axe, J. D.; Harada, J. Physical Review B, Vol. 2, Issue 1 https://doi.org/10.1103/PhysRevB.2.155	journal	July 1970
Beyond Eliashberg Superconductivity in ${MgB}_{2}$ : Anharmonicity, Two-Phonon Scattering, and Multiple Gaps Liu, Amy Y.; Mazin, I. I.; Kortus, Jens Physical Review Letters, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevLett.87.087005	journal	August 2001
Electron/phonon coupling in group-IV transition-metal and rare-earth nitrides Mei, A. B.; Rockett, A.; Hultman, L. Journal of Applied Physics, Vol. 114, Issue 19 https://doi.org/10.1063/1.4832778	journal	November 2013
Calculating properties with the coherent-potential approximation Faulkner, J. S.; Stocks, G. M. Physical Review B, Vol. 21, Issue 8 https://doi.org/10.1103/PhysRevB.21.3222	journal	April 1980
Lattice dynamics of anharmonic solids from first principles Hellman, O.; Abrikosov, I. A.; Simak, S. I. Physical Review B, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevB.84.180301	journal	November 2011
Physical properties of epitaxial ZrN/MgO(001) layers grown by reactive magnetron sputtering Mei, A. B.; Howe, B. M.; Zhang, C. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 31, Issue 6 https://doi.org/10.1116/1.4825349	journal	November 2013
Elastic constants, Poisson ratios, and the elastic anisotropy of VN(001), (011), and (111) epitaxial layers grown by reactive magnetron sputter deposition Mei, A. B.; Wilson, R. B.; Li, D. Journal of Applied Physics, Vol. 115, Issue 21 https://doi.org/10.1063/1.4881817	journal	June 2014
Probing the electron-phonon coupling in MgB ₂ through magnetoresistance measurements in neutron irradiated thin films Monni, M.; Pallecchi, I.; Ferdeghini, C. EPL (Europhysics Letters), Vol. 81, Issue 6 https://doi.org/10.1209/0295-5075/81/67006	journal	February 2008
Superconducting properties and Hall effect of epitaxial NbN thin films Chockalingam, S. P.; Chand, Madhavi; Jesudasan, John Physical Review B, Vol. 77, Issue 21 https://doi.org/10.1103/PhysRevB.77.214503	journal	June 2008
Phase stabilities in the Pt-W system: Thermodynamic and electronic-structure calculations Fernández Guillermet, A.; Ozoliņš, V.; Grimvall, G. Physical Review B, Vol. 51, Issue 16 https://doi.org/10.1103/PhysRevB.51.10364	journal	April 1995
Pressure-induced phonon frequency shifts in transition-metal nitrides Chen, Xiao-Jia; Struzhkin, Viktor; Kung, Simon Physical Review B, Vol. 70, Issue 1 https://doi.org/10.1103/PhysRevB.70.014501	journal	July 2004
Weak anharmonic effects in $Mg B_{2}$ : A comparative inelastic x-ray scattering and Raman study d’Astuto, Matteo; Calandra, Matteo; Reich, Stephanie Physical Review B, Vol. 75, Issue 17 https://doi.org/10.1103/PhysRevB.75.174508	journal	May 2007
Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems Kubo, Ryogo Journal of the Physical Society of Japan, Vol. 12, Issue 6 https://doi.org/10.1143/JPSJ.12.570	journal	June 1957
Theory of electronic transport in random alloys: Korringa-Kohn-Rostoker coherent-potential approximation Butler, W. H. Physical Review B, Vol. 31, Issue 6 https://doi.org/10.1103/PhysRevB.31.3260	journal	March 1985
Soft phonons in δ-phase plutonium near the δ-α′ transition Xu, Ruqing; Wong, Joe; Zschack, Paul EPL (Europhysics Letters), Vol. 82, Issue 2 https://doi.org/10.1209/0295-5075/82/26001	journal	March 2008
Application of ab initio and CALPHAD thermodynamics to Mo-Ta-W alloys Turchi, P. E. A.; Drchal, V.; Kudrnovský, J. Physical Review B, Vol. 71, Issue 9 https://doi.org/10.1103/PhysRevB.71.094206	journal	March 2005

Similar Records

Dynamic and structural stability of cubic vanadium nitride

Journal Article · Thu Jan 01 00:00:00 EST 2015 · Physical Review · OSTI ID:1180541

Mei, AB; Hellman, O; Wireklint, N; +7 more

Structural stability of hydrogenated (100) surface of cubic boron nitride in comparison with diamond

Journal Article · Sun Jun 01 00:00:00 EDT 1997 · Journal of Applied Physics · OSTI ID:1180541

Komatsu, S; Yarbrough, W; Moriyoshi, Y

Semiconducting cubic titanium nitride in the

{Th}_{3} P_{4}

structure

Journal Article · Mon Jan 22 00:00:00 EST 2018 · Physical Review Materials · OSTI ID:1180541

Bhadram, Venkata S.; Liu, Hanyu; Xu, Enshi; +5 more

Title: Dynamic and structural stability of cubic vanadium nitride

Citation Formats

References (57)

Similar Records

Related Subjects