Kohn Anomaly and Phase Stability in Group VB Transition Metals

Landa, Alexander; Soderlind, Per; Naumov, Ivan; Klepeis, John; Vitos, Levente

doi:10.3390/computation6020029

Kohn Anomaly and Phase Stability in Group VB Transition Metals

Journal Article · Mon Mar 26 00:00:00 EDT 2018 · Computation

DOI:https://doi.org/10.3390/computation6020029· OSTI ID:1438810

Landa, Alexander ^[1]; Soderlind, Per ^[1]; Naumov, Ivan ^[2]; Klepeis, John ^[1]; Vitos, Levente ^[3]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physics Division
Carnegie Inst. of Washington, Washington, DC (United States). Geophysical Lab.
KTH Royal Inst. of Technology, Stockholm (Sweden). Dept. of Materials Science and Engineering; Wigner Research Center for Physics, Inst. for Solid State Physics and Optics, Budapest (Hungary); Uppsala Univ. (Sweden). Dept. of Physics and Astronomy

In the periodic table, only a few pure metals exhibit lattice or magnetic instabilities associated with Fermi surface nesting, the classical examples being α-U and Cr. Whereas α-U displays a strong Kohn anomaly in the phonon spectrum that ultimately leads to the formation of charge density waves (CDWs), Cr is known for its nesting-induced spin density waves (SDWs). Recently, it has become clear that a pronounced Kohn anomaly and the corresponding softening in the elastic constants is also the key factor that controls structural transformations and mechanical properties in compressed group VB metals—materials with relatively high superconducting critical temperatures. This article reviews the current understanding of the structural and mechanical behavior of these metals under pressure with an introduction to the concept of the Kohn anomaly and how it is related to the important concept of Peierls instability. We review both experimental and theoretical results showing different manifestations of the Kohn anomaly in the transverse acoustic phonon mode TA (ξ00) in V, Nb, and Ta. Specifically, in V the anomaly triggers a structural transition to a rhombohedral phase, whereas in Nb and Ta it leads to an anomalous reduction in yield strength.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: Hungarian Scientific Research Fund (OTKA); Swedish Foundation for Strategic Research; Swedish Research Council (SRC); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC52-07NA27344; NA0002006; SC0001057

OSTI ID:: 1438810

Report Number(s):: LLNL-JRNL--746745

Journal Information:: Computation, Journal Name: Computation Journal Issue: 2 Vol. 6; ISSN 2079-3197

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

References (114)

First principles calculations of electronic properties and mechanical properties of bcc molybdenum and niobium Liu, Zenghui; Shang, Jiaxiang Rare Metals, Vol. 30, Issue S1 https://doi.org/10.1007/s12598-011-0302-9	journal	March 2011
Lattice dynamics of niobium Nakagawa, Y.; Woods, A. D. B. Solid State Communications, Vol. 1, Issue 6 https://doi.org/10.1016/0038-1098(63)90220-5	journal	November 1963
Phonon softening in alpha-uranium associated with the CDW transition Marmeggi, J. C.; Currat, R.; Bouvet, A. Physica B: Condensed Matter, Vol. 263-264 https://doi.org/10.1016/S0921-4526(98)01434-3	journal	March 1999
Atomistic simulation of pressure-dependent screw dislocation properties in bcc tantalum Yang, L. H.; Söderlind, Per; Moriarty, J. A. Materials Science and Engineering: A, Vol. 309-310 https://doi.org/10.1016/S0921-5093(00)01618-X	journal	July 2001
Calculated Nb superconducting transition temperature under hydrostatic pressure Ostanin, S. A.; Trubitsin, V. Yu.; Savrasov, S. Yu. Computational Materials Science, Vol. 17, Issue 2-4 https://doi.org/10.1016/S0927-0256(00)00024-0	journal	June 2000
Time–dependent nature and origin of displacive transformation Kakeshita, T.; Fukuda, T.; Saburi, T. Science and Technology of Advanced Materials, Vol. 1, Issue 1 https://doi.org/10.1016/S1468-6996(99)00002-9	journal	January 2000
Evidence of Kohn anomalies in quasi-freestanding graphene on Pt(111) Politano, Antonio; Marino, Antonio Raimondo; Formoso, Vincenzo Carbon, Vol. 50, Issue 2 https://doi.org/10.1016/j.carbon.2011.09.028	journal	February 2012
Structural transformations at high pressure in the refractory metals (Ta, Mo, V) Krasilnikov, O. M.; Vekilov, Yu. Kh.; Lugovskoy, A. V. Journal of Alloys and Compounds, Vol. 586 https://doi.org/10.1016/j.jallcom.2013.05.151	journal	February 2014
A critical discussion of calculated modulated structures, Fermi surface nesting and phonon softening in magnetic shape memory alloys Ni2Mn(Ga, Ge, Al) and Co2Mn(Ga, Ge) Zayak, A. T.; Entel, P. Journal of Magnetism and Magnetic Materials, Vol. 290-291 https://doi.org/10.1016/j.jmmm.2004.11.401	journal	April 2005
Ab initio calculations of elastic constants of the bcc V–Nb system at high pressures Landa, A.; Klepeis, J.; Söderlind, P. Journal of Physics and Chemistry of Solids, Vol. 67, Issue 9-10 https://doi.org/10.1016/j.jpcs.2006.05.027	journal	September 2006
Elastic criterion for dislocation nucleation Li, Ju; Zhu, Ting; Yip, Sidney Materials Science and Engineering: A, Vol. 365, Issue 1-2 https://doi.org/10.1016/j.msea.2003.09.003	journal	January 2004
Superconductivity in the metallic elements at high pressures Hamlin, J. J. Physica C: Superconductivity and its Applications, Vol. 514 https://doi.org/10.1016/j.physc.2015.02.032	journal	July 2015
Interface-induced electronic structure toughening of nitride superlattices Řehák, Petr; Černý, Miroslav; Holec, David Surface and Coatings Technology, Vol. 325 https://doi.org/10.1016/j.surfcoat.2017.06.065	journal	September 2017
Phonon triggered rhombohedral lattice distortion in vanadium at high pressure Antonangeli, Daniele; Farber, Daniel L.; Bosak, Alexei Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep31887	journal	August 2016
Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations Wang, Yi X.; Wu, Q.; Chen, Xiang R. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep32419	journal	September 2016
Measurement and analysis of nonhydrostatic lattice strain component in niobium to 145 GPa under various fluid pressure-transmitting media Singh, Anil K.; Kenichi, Takemura Journal of Applied Physics, Vol. 90, Issue 7 https://doi.org/10.1063/1.1397283	journal	October 2001
Theory of the structural phases of group 5B–6B metals and their transport properties Nnolim, Neme O.; Tyson, Trevor A.; Axe, Lisa Journal of Applied Physics, Vol. 93, Issue 8 https://doi.org/10.1063/1.1562751	journal	April 2003
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
Multiphase improved Steinberg–Guinan model for vanadium Rudd, Robert E.; Klepeis, John E. Journal of Applied Physics, Vol. 104, Issue 9 https://doi.org/10.1063/1.3013429	journal	November 2008
A constitutive model for metals applicable at high‐strain rate Steinberg, D. J.; Cochran, S. G.; Guinan, M. W. Journal of Applied Physics, Vol. 51, Issue 3 https://doi.org/10.1063/1.327799	journal	March 1980
Strength and elasticity of niobium under high pressure Singh, Anil K.; Liermann, Hanns-Peter Journal of Applied Physics, Vol. 109, Issue 11 https://doi.org/10.1063/1.3594748	journal	June 2011
Sound velocity measurements of tantalum under shock compression in the 10-110 GPa range Hu, Jianbo; Dai, Chengda; Yu, Yuying Journal of Applied Physics, Vol. 111, Issue 3 https://doi.org/10.1063/1.3681815	journal	February 2012
Phase transition and strength of vanadium under shock compression up to 88 GPa Yu, Yuying; Tan, Ye; Dai, Chengda Applied Physics Letters, Vol. 105, Issue 20 https://doi.org/10.1063/1.4902374	journal	November 2014
Anomalous softening of yield strength in tantalum at high pressures Jing, Qiumin; Wu, Qiang; Xu, Ji-an Journal of Applied Physics, Vol. 117, Issue 5 https://doi.org/10.1063/1.4906977	journal	February 2015
First-principles investigation of elastic anomalies in niobium at high pressure and temperature Wang, Yi X.; Geng, Hua Y.; Wu, Q. Journal of Applied Physics, Vol. 122, Issue 23 https://doi.org/10.1063/1.5006396	journal	December 2017
Unusual lattice dynamics of vanadium under high pressure Luo, W.; Ahuja, R.; Ding, Y. Proceedings of the National Academy of Sciences, Vol. 104, Issue 42 https://doi.org/10.1073/pnas.0707377104	journal	October 2007
Electronic structure of primary solid solutions in metals Friedel, J. Advances in Physics, Vol. 50, Issue 6 https://doi.org/10.1080/00018730110102178	journal	September 2001
Electronic structure of primary solid solutions in metals Friedel, J. Advances in Physics, Vol. 3, Issue 12 https://doi.org/10.1080/00018735400101233	journal	October 1954
The solid-state properties of uranium A historical perspective and review Lander, G. H.; Fisher, E. S.; Bader, S. D. Advances in Physics, Vol. 43, Issue 1 https://doi.org/10.1080/00018739400101465	journal	February 1994
Singularities of the electronic structure and pre-martensitic anomalies of lattice properties in β-phases of metals and alloys Katsnelson, M. I.; Naumov, I. I.; Trefilov, A. V. Phase Transitions, Vol. 49, Issue 1-3 https://doi.org/10.1080/01411599408201172	journal	April 1994
Calculated Nb superconducting transition temperature under hydrostatic pressure Ostanin, S. A.; Trubitsin, V. Yu.; Savrasov, S. Yu. High Pressure Research, Vol. 17, Issue 3-6 https://doi.org/10.1080/08957950008245929	journal	August 2000
First-principles study of elastic and thermal properties of refractory carbides and nitrides Wolf, W.; Podloucky, R.; Antretter, T. Philosophical Magazine B, Vol. 79, Issue 6 https://doi.org/10.1080/13642819908214844	journal	June 1999
Misconceptions associated with the origin of charge density waves Zhu, Xuetao; Guo, Jiandong; Zhang, Jiandi Advances in Physics: X, Vol. 2, Issue 3 https://doi.org/10.1080/23746149.2017.1343098	journal	May 2017
Theory of the crystal structures of transition metals Pettifor, D. G. Journal of Physics C: Solid State Physics, Vol. 3, Issue 2 https://doi.org/10.1088/0022-3719/3/2/018	journal	February 1970
Sound velocity variations and melting of vanadium under shock compression Dai, Chengda; Jin, Xiaogang; Zhou, Xianming Journal of Physics D: Applied Physics, Vol. 34, Issue 20 https://doi.org/10.1088/0022-3727/34/20/310	journal	October 2001
Spin density wave and soft phonon mode from nesting Fermi surfaces Chan, S. -K; Heine, V. Journal of Physics F: Metal Physics, Vol. 3, Issue 4 https://doi.org/10.1088/0305-4608/3/4/022	journal	April 1973
Electronic structure and long-period states in Ag ₃ Mg: comparison with Cu-Au alloys Velikokhatnyi, O. I.; Eremeev, S. V.; Naumov, I. I. Journal of Physics: Condensed Matter, Vol. 12, Issue 41 https://doi.org/10.1088/0953-8984/12/41/308	journal	September 2000
Al ₃ Ti alloy: long-period states and electronic structure Velikokhatnyi, O. I.; Eremeev, S. V.; Naumov, I. I. Journal of Physics: Condensed Matter, Vol. 14, Issue 38 https://doi.org/10.1088/0953-8984/14/38/301	journal	September 2002
Theoretical study on the lattice dynamics and electron phonon interaction of vanadium under high pressures Suzuki, N.; Otani, M. Journal of Physics: Condensed Matter, Vol. 14, Issue 44 https://doi.org/10.1088/0953-8984/14/44/392	journal	October 2002
Fermi surface nesting and pre-martensitic softening in V and Nb at high pressures Landa, A.; Klepeis, J.; Söderlind, P. Journal of Physics: Condensed Matter, Vol. 18, Issue 22 https://doi.org/10.1088/0953-8984/18/22/008	journal	May 2006
The role of the phonon anomaly in the superconductivity of vanadium and selenium under high pressures Suzuki, N.; Otani, M. Journal of Physics: Condensed Matter, Vol. 19, Issue 12 https://doi.org/10.1088/0953-8984/19/12/125206	journal	March 2007
Phases of vanadium under pressure investigated from first principles Qiu, S. L.; Marcus, P. M. Journal of Physics: Condensed Matter, Vol. 20, Issue 27 https://doi.org/10.1088/0953-8984/20/27/275218	journal	June 2008
Elastic phase transitions in metals at high pressures Krasilnikov, O. M.; Vekilov, Yu Kh; Mosyagin, I. Yu Journal of Physics: Condensed Matter, Vol. 24, Issue 19 https://doi.org/10.1088/0953-8984/24/19/195402	journal	April 2012
On the stability of the electronic system in transition metal dichalcogenides Faraggi, M. N.; Zubizarreta, X.; Arnau, A. Journal of Physics: Condensed Matter, Vol. 28, Issue 18 https://doi.org/10.1088/0953-8984/28/18/184004	journal	April 2016
Simultaneous manifestations of the 2D van Hove singularity and the Fermi surface nesting in the acoustic soft phonon mode of alloys Naumov, I. I.; Velikokhatniy, O. I. Journal of Physics: Condensed Matter, Vol. 9, Issue 47 https://doi.org/10.1088/0953-8984/9/47/004	journal	November 1997
Positron annihilation study of the Fermi surface of Ni ₂ MnGa Haynes, T. D.; Watts, R. J.; Laverock, J. New Journal of Physics, Vol. 14, Issue 3 https://doi.org/10.1088/1367-2630/14/3/035020	journal	March 2012
Elastic properties of Nb-based alloys by using the density functional theory Liu, Zeng-Hui; Shang, Jia-Xiang Chinese Physics B, Vol. 21, Issue 1 https://doi.org/10.1088/1674-1056/21/1/016202	journal	January 2012
Images of the Fermi Surface in Phonon Spectra of Metals Woll, E. J.; Kohn, W. Physical Review, Vol. 126, Issue 5 https://doi.org/10.1103/PhysRev.126.1693	journal	June 1962
Theory of Kohn Anomalies in the Phonon Spectra of Metals Taylor, P. L. Physical Review, Vol. 131, Issue 5 https://doi.org/10.1103/PhysRev.131.1995	journal	September 1963
Lattice Dynamics of Tantalum Woods, A. D. B. Physical Review, Vol. 136, Issue 3A https://doi.org/10.1103/PhysRev.136.A781	journal	November 1964
Lattice Dynamics of Niobium-Molybdenum Alloys Powell, B. M.; Martel, P.; Woods, A. D. B. Physical Review, Vol. 171, Issue 3 https://doi.org/10.1103/PhysRev.171.727	journal	July 1968
Crystal structure from one-electron theory Skriver, Hans L. Physical Review B, Vol. 31, Issue 4 https://doi.org/10.1103/PhysRevB.31.1909	journal	February 1985
Electron densities in VN. I. High-precision x-ray-diffraction determination of the valence-electron density distribution and atomic displacement parameters Kubel, F.; Flack, H. D.; Yvon, K. Physical Review B, Vol. 36, Issue 3 https://doi.org/10.1103/PhysRevB.36.1415	journal	July 1987
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
Electronic origin of the intermediate phase of NiTi Zhao, G. -L.; Leung, T.; Harmon, B. Physical Review B, Vol. 40, Issue 11 https://doi.org/10.1103/PhysRevB.40.7999	journal	October 1989
Phonon anomalies in β-phase Ni x Al 1 − x alloys Zhao, G. L.; Harmon, B. N. Physical Review B, Vol. 45, Issue 6 https://doi.org/10.1103/PhysRevB.45.2818	journal	February 1992
Influence of pseudocore valence-band hybridization on the crystal-structure phase stabilities of transition metals under extreme compressions Ahuja, R.; Söderlind, P.; Trygg, J. Physical Review B, Vol. 50, Issue 19 https://doi.org/10.1103/PhysRevB.50.14690	journal	November 1994
Crystal structure and elastic-constant anomalies in the magnetic 3 d transition metals Söderlind, P.; Ahuja, R.; Eriksson, O. Physical Review B, Vol. 50, Issue 9 https://doi.org/10.1103/PhysRevB.50.5918	journal	September 1994
First-principles theory of Ta up to 10 Mbar pressure: Structural and mechanical properties Söderlind, Per; Moriarty, John A. Physical Review B, Vol. 57, Issue 17 https://doi.org/10.1103/PhysRevB.57.10340	journal	May 1998
Static strengths of Ta and U under ultrahigh pressures Weir, S. T.; Akella, J.; Ruddle, C. Physical Review B, Vol. 58, Issue 17 https://doi.org/10.1103/PhysRevB.58.11258	journal	November 1998
Equation of state of tantalum to 174 GPa Cynn, Hyunchae; Yoo, Choong-Shik Physical Review B, Vol. 59, Issue 13 https://doi.org/10.1103/PhysRevB.59.8526	journal	April 1999
Pressure effect on superconductivity of vanadium at megabar pressures Ishizuka, M.; Iketani, M.; Endo, S. Physical Review B, Vol. 61, Issue 6 https://doi.org/10.1103/PhysRevB.61.R3823	journal	February 2000
Systematics of transition-metal melting Errandonea, Daniel; Schwager, Beate; Ditz, Reiner Physical Review B, Vol. 63, Issue 13 https://doi.org/10.1103/PhysRevB.63.132104	journal	March 2001
High-pressure thermoelasticity of body-centered-cubic tantalum Gülseren, O.; Cohen, R. E. Physical Review B, Vol. 65, Issue 6 https://doi.org/10.1103/PhysRevB.65.064103	journal	January 2002
Generalized susceptibility of the magnetic shape-memory alloy Ni 2 MnGa Lee, Yongbin; Rhee, Joo Yull; Harmon, B. N. Physical Review B, Vol. 66, Issue 5 https://doi.org/10.1103/PhysRevB.66.054424	journal	August 2002
Electronic phase transition and superconductivity of vanadium under high pressure Louis, C. Nirmala; Iyakutti, K. Physical Review B, Vol. 67, Issue 9 https://doi.org/10.1103/PhysRevB.67.094509	journal	March 2003
First-principles study of lattice instabilities in ferromagnetic Ni 2 MnGa Bungaro, Claudia; Rabe, K. M.; Corso, A. Dal Physical Review B, Vol. 68, Issue 13 https://doi.org/10.1103/PhysRevB.68.134104	journal	October 2003
Refinement of the equation of state of tantalum Dewaele, Agnès; Loubeyre, Paul; Mezouar, Mohamed Physical Review B, Vol. 69, Issue 9 https://doi.org/10.1103/PhysRevB.69.092106	journal	March 2004
Electron-phonon coupling in high-pressure Nb Tse, John S.; Li, Zhiqiang; Uehara, Kentaro Physical Review B, Vol. 69, Issue 13 https://doi.org/10.1103/PhysRevB.69.132101	journal	April 2004
Phonon anomalies and elastic constants of cubic NiAl from first principles Huang, Xiangyang; Naumov, Ivan I.; Rabe, Karin M. Physical Review B, Vol. 70, Issue 6 https://doi.org/10.1103/PhysRevB.70.064301	journal	August 2004
Mechanical properties of tantalum under high pressure Dewaele, A.; Loubeyre, P. Physical Review B, Vol. 72, Issue 13 https://doi.org/10.1103/PhysRevB.72.134106	journal	October 2005
Fermi-surface nesting and the origin of the charge-density wave in Nb Se 2 Johannes, M.; Mazin, I.; Howells, C. Physical Review B, Vol. 73, Issue 20 https://doi.org/10.1103/PhysRevB.73.205102	journal	May 2006
High-pressure equation of state for Nb with a helium-pressure medium: Powder x-ray diffraction experiments Kenichi, Takemura; Singh, Anil K. Physical Review B, Vol. 73, Issue 22 https://doi.org/10.1103/PhysRevB.73.224119	journal	June 2006
First-principles thermoelasticity of transition metals at high pressure: Tantalum prototype in the quasiharmonic limit Orlikowski, Daniel; Söderlind, Per; Moriarty, John A. Physical Review B, Vol. 74, Issue 5 https://doi.org/10.1103/PhysRevB.74.054109	journal	August 2006
Theoretical confirmation of a high-pressure rhombohedral phase in vanadium metal Lee, Byeongchan; Rudd, Robert E.; Klepeis, John E. Physical Review B, Vol. 75, Issue 18 https://doi.org/10.1103/PhysRevB.75.180101	journal	May 2007
Elastic constants and volume changes associated with two high-pressure rhombohedral phase transformations in vanadium Lee, Byeongchan; Rudd, Robert E.; Klepeis, John E. Physical Review B, Vol. 77, Issue 13 https://doi.org/10.1103/PhysRevB.77.134105	journal	April 2008
Fermi surface nesting and the origin of charge density waves in metals Johannes, M. D.; Mazin, I. I. Physical Review B, Vol. 77, Issue 16 https://doi.org/10.1103/PhysRevB.77.165135	journal	April 2008
Elasticity of the superconducting metals V, Nb, Ta, Mo, and W at high pressure Koči, L.; Ma, Y.; Oganov, A. R. Physical Review B, Vol. 77, Issue 21 https://doi.org/10.1103/PhysRevB.77.214101	journal	June 2008
Lattice dynamics of vanadium: Inelastic x-ray scattering measurements Bosak, Alexey; Hoesch, Moritz; Antonangeli, Daniele Physical Review B, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevB.78.020301	journal	July 2008
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
Diamond anvil cell measurement of high-pressure yield strength of vanadium using in situ thickness determination Klepeis, Jae-Hyun Park; Cynn, Hyunchae; Evans, William J. Physical Review B, Vol. 81, Issue 13 https://doi.org/10.1103/PhysRevB.81.134107	journal	April 2010
Shear softening in tantalum at megabar pressures Antonangeli, Daniele; Farber, Daniel L.; Said, Ayman H. Physical Review B, Vol. 82, Issue 13 https://doi.org/10.1103/PhysRevB.82.132101	journal	October 2010
Alloying-driven phase stability in group-VB transition metals under compression Landa, A.; Söderlind, P.; Velikokhatnyi, O. I. Physical Review B, Vol. 82, Issue 14 https://doi.org/10.1103/PhysRevB.82.144114	journal	October 2010
Structural phase transition in vanadium at high pressure and high temperature: Influence of nonhydrostatic conditions Jenei, Zs.; Liermann, H. P.; Cynn, H. Physical Review B, Vol. 83, Issue 5 https://doi.org/10.1103/PhysRevB.83.054101	journal	February 2011
Strong electron-lattice coupling as the mechanism behind charge density wave transformations in transition-metal dichalcogenides Gor'kov, Lev P. Physical Review B, Vol. 85, Issue 16 https://doi.org/10.1103/PhysRevB.85.165142	journal	April 2012
Graphene physics and insulator-metal transition in compressed hydrogen Naumov, Ivan I.; Cohen, R. E.; Hemley, Russell J. Physical Review B, Vol. 88, Issue 4 https://doi.org/10.1103/PhysRevB.88.045125	journal	July 2013
Ab initio phase stability at high temperatures and pressures in the V-Cr system Landa, A.; Söderlind, P.; Yang, L. H. Physical Review B, Vol. 89, Issue 2 https://doi.org/10.1103/PhysRevB.89.020101	journal	January 2014
Dynamic and structural stability of cubic vanadium nitride Mei, A. B.; Hellman, O.; Wireklint, N. Physical Review B, Vol. 91, Issue 5 https://doi.org/10.1103/PhysRevB.91.054101	journal	February 2015
Stability in bcc Transition Metals: Madelung and Band-Energy Effects due to Alloying Landa, A.; Söderlind, P.; Ruban, A. V. Physical Review Letters, Vol. 103, Issue 23 https://doi.org/10.1103/PhysRevLett.103.235501	journal	December 2009
Lattice Dynamics of Niobium Nakagawa, Y.; Woods, A. D. B. Physical Review Letters, Vol. 11, Issue 6 https://doi.org/10.1103/PhysRevLett.11.271	journal	September 1963
Emergence of an Out-of-Plane Optical Phonon (ZO) Kohn Anomaly in Quasifreestanding Epitaxial Graphene Politano, Antonio; de Juan, Fernando; Chiarello, Gennaro Physical Review Letters, Vol. 115, Issue 7 https://doi.org/10.1103/PhysRevLett.115.075504	journal	August 2015
Image of the Fermi Surface in the Vibration Spectrum of a Metal Kohn, W. Physical Review Letters, Vol. 2, Issue 9 https://doi.org/10.1103/PhysRevLett.2.393	journal	May 1959
Superconducting Tc and Electron-Phonon Coupling in Nb to 132 GPa: Magnetic Susceptibility at Megabar Pressures Struzhkin, Viktor; Timofeev, Yuri; Hemley, Russell Physical Review Letters, Vol. 79, Issue 21 https://doi.org/10.1103/PhysRevLett.79.4262	journal	November 1997
Theoretical Aspects of the Charge Density Wave in Uranium Fast, Lars; Eriksson, Olle; Johansson, Börje Physical Review Letters, Vol. 81, Issue 14 https://doi.org/10.1103/PhysRevLett.81.2978	journal	October 1998
Ferromagnetism and Superstructure in Ca 1 − x La x B 6 Barzykin, Victor; Gor'kov, Lev P. Physical Review Letters, Vol. 84, Issue 10 https://doi.org/10.1103/PhysRevLett.84.2207	journal	March 2000
Phonon Instabilities and the Ideal Strength of Aluminum Clatterbuck, D. M.; Krenn, C. R.; Cohen, Marvin L. Physical Review Letters, Vol. 91, Issue 13 https://doi.org/10.1103/PhysRevLett.91.135501	journal	September 2003
Structural Phase Transition of Vanadium at 69 GPa Ding, Yang; Ahuja, Rajeev; Shu, Jinfu Physical Review Letters, Vol. 98, Issue 8 https://doi.org/10.1103/PhysRevLett.98.085502	journal	February 2007
Phonon and electron contributions to the thermal conductivity of V N x epitaxial layers Zheng, Qiye; Mei, Antonio B.; Tuteja, Mohit Physical Review Materials, Vol. 1, Issue 6 https://doi.org/10.1103/PhysRevMaterials.1.065002	journal	November 2017
Possible Anomalies at a Semimetal-Semiconductor Transistion Halperin, B. I.; Rice, T. M. Reviews of Modern Physics, Vol. 40, Issue 4 https://doi.org/10.1103/RevModPhys.40.755	journal	October 1968
Electronic structure and instability of Ni2MnGa Velikokhatnyi, O. I.; Naumov, I. I. Physics of the Solid State, Vol. 41, Issue 4 https://doi.org/10.1134/1.1130837	journal	April 1999
Long-period incommensurate superstructures in Cu-Au alloys: Relation with short-period ordering Velikokhatnyi, O. I.; Eremeev, S. V.; Naumov, I. I. Journal of Experimental and Theoretical Physics, Vol. 90, Issue 3 https://doi.org/10.1134/1.559129	journal	March 2000
Two-dimensional incommensurate superlattices in precious-metals alloys: Nature of formation Velikokhatnyi, O. I.; Naumov, I. I.; Eremeev, S. V. Journal of Experimental and Theoretical Physics Letters, Vol. 69, Issue 8 https://doi.org/10.1134/1.567965	journal	April 1999
Deformation phase transition in vanadium under high pressure Bondarenko, N. G.; Vekilov, Yu. Kh.; Isaev, E. I. JETP Letters, Vol. 91, Issue 11 https://doi.org/10.1134/S0021364010110147	journal	June 2010
Theory of elastic phase transitions in metals at high pressures. Application to vanadium Krasil’nikov, O. M.; Vekilov, Yu. Kh.; Isaev, E. I. Journal of Experimental and Theoretical Physics, Vol. 112, Issue 2 https://doi.org/10.1134/S1063776111010110	journal	February 2011
Phonon properties of niobium, molybdenum, and their alloys Powell, B. M.; Martel, P.; Woods, A. D. B. Canadian Journal of Physics, Vol. 55, Issue 18 https://doi.org/10.1139/p77-204	journal	September 1977
Structural phase transitions in vanadium under high pressure Verma, A. K.; Modak, P. EPL (Europhysics Letters), Vol. 81, Issue 3 https://doi.org/10.1209/0295-5075/81/37003	journal	December 2007
Alloying-Driven Phase Stability in Group-VB Transition Metals Under Compression Landa, Alexander; Soderlind, P.; Velikokhatnyi, O. I. Unpublished https://doi.org/10.13140/2.1.1093.4721	text	January 2012
N-V (Nitrogen-Vanadium) Okamoto, H. Journal of Phase Equilibria, Vol. 22, Issue 3 https://doi.org/10.1361/105497101770338923	journal	May 2001
Structural transformations in metals at high compression ratios Vekilov, Yurii Kh; Krasilnikov, Oleg M. Physics-Uspekhi, Vol. 52, Issue 8 https://doi.org/10.3367/UFNe.0179.200908f.0883	journal	August 2009
Elastic properties and phonon dispersion of bcc vanadium under pressure from first principles Cheng, Y. Journal of Atomic and Molecular Sciences, Vol. 5, Issue 1 https://doi.org/10.4208/jams.072513.101413a	journal	June 2014
Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations Wang, Yi X.; Wu, Q.; Chen, Xiang R. arXiv https://doi.org/10.48550/arxiv.1611.01426	text	January 2016
First-principles investigation of elastic anomalies in niobium at high pressure and temperature Wang, Yi X.; Geng, Hua Y.; Wu, Q. arXiv https://doi.org/10.48550/arxiv.1801.02915	text	January 2018
Refinement of the equation of state of tantalum Dewaele, Agnes; Loubeyre, Paul; Mezouar, Mohamed arXiv https://doi.org/10.48550/arxiv.cond-mat/0403080	text	January 2004
A critical discussion of calculated modulated structures, Fermi surface nesting and phonon softening in magnetic shape memory alloys Ni$_2$Mn(Ga, Ge, Al) and Co$_2$Mn(Ga, Ge) Zayak, A. T.; Entel, P. arXiv https://doi.org/10.48550/arxiv.cond-mat/0407157	text	January 2004

Cited By (6)

Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response Jana, Subrata; Patra, Abhilash; Constantin, Lucian A. The Journal of Chemical Physics, Vol. 152, Issue 4 https://doi.org/10.1063/1.5131530	journal	January 2020
Pressure effect on Kohn anomaly and electronic topological transition in single-crystal tantalum Zhang, Youjun; Yang, Chao; Alatas, Ahmet Physical Review B, Vol. 100, Issue 7 https://doi.org/10.1103/physrevb.100.075145	journal	August 2019
Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions Errandonea, D.; MacLeod, S. G.; Burakovsky, L. Physical Review B, Vol. 100, Issue 9 https://doi.org/10.1103/physrevb.100.094111	journal	September 2019
Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals Terentjev, Aleksandr V.; Constantin, Lucian A.; Artacho, Emilio Physical Review B, Vol. 100, Issue 23 https://doi.org/10.1103/physrevb.100.235439	journal	December 2019
Dispersion-corrected PBEsol exchange-correlation functional Terentjev, Aleksandr V.; Constantin, Lucian A.; Pitarke, J. M. Physical Review B, Vol. 98, Issue 21 https://doi.org/10.1103/physrevb.98.214108	journal	December 2018
Electron-phonon properties, structural stability, and superconductivity of doped antimonene Lugovskoi, A. V.; Katsnelson, M. I.; Rudenko, A. N. Physical Review B, Vol. 99, Issue 6 https://doi.org/10.1103/physrevb.99.064513	journal	February 2019

Similar Records

ALLOYING-DRIVEN PHASE STABILITY IN GROUP-VB TRANSITION METALS UNDER COMPRESSION

Conference · Mon Apr 11 00:00:00 EDT 2011 · OSTI ID:1022890

Peierls-Froehlich instability and Kohn anomaly

Journal Article · Fri Jul 01 00:00:00 EDT 1994 · Journal of Statistical Physics · OSTI ID:471836

Topological Singularity Induced Chiral Kohn Anomaly in a Weyl Semimetal

Journal Article · Wed Jun 10 20:00:00 EDT 2020 · Physical Review Letters · OSTI ID:1633429

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Fermi surface nesting
Kohn anomaly
phonon softening

Kohn Anomaly and Phase Stability in Group VB Transition Metals

Citation Formats

References (114)

Cited By (6)

Similar Records

Related Subjects