These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
137 related articles for article (PubMed ID: 31647650)
1. Large-Scale Phonon Calculations Using the Real-Space Multigrid Method. Zhang J; Cheng Y; Lu W; Briggs E; Ramirez-Cuesta AJ; Bernholc J J Chem Theory Comput; 2019 Dec; 15(12):6859-6864. PubMed ID: 31647650 [TBL] [Abstract][Full Text] [Related]
2. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007). Hafner J J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862 [TBL] [Abstract][Full Text] [Related]
3. Ab initio thermal transport properties of nanostructures from density functional perturbation theory. Calzolari A; Jayasekera T; Kim KW; Nardelli MB J Phys Condens Matter; 2012 Dec; 24(49):492204. PubMed ID: 23164749 [TBL] [Abstract][Full Text] [Related]
4. Ab initio calculations of the crystal field and phonon dispersions in CePd Legut D; Diviš M; Doležal P; Zhang SH; Javorský P J Phys Condens Matter; 2020 May; 32(23):235402. PubMed ID: 31986499 [TBL] [Abstract][Full Text] [Related]
5. Phonon dispersions in random alloys: a method based on special quasi-random structure force constants. Wang Y; Zacherl CL; Shang S; Chen LQ; Liu ZK J Phys Condens Matter; 2011 Dec; 23(48):485403. PubMed ID: 22080800 [TBL] [Abstract][Full Text] [Related]
6. Vibrational properties and phase transitions in II-VI materials: lattice dynamics, ab initio studies and inelastic neutron scattering measurements. Basak T; Rao MN; Gupta MK; Chaplot SL J Phys Condens Matter; 2012 Mar; 24(11):115401. PubMed ID: 22354098 [TBL] [Abstract][Full Text] [Related]
7. Fair R; Jackson A; Voneshen D; Jochym D; Le D; Refson K; Perring T J Appl Crystallogr; 2022 Dec; 55(Pt 6):1689-1703. PubMed ID: 36570656 [TBL] [Abstract][Full Text] [Related]
8. GPU_PBTE: an efficient solver for three and four phonon scattering rates on graphics processing units. Zhang B; Fan Z; Zhao CY; Gu X J Phys Condens Matter; 2021 Sep; 33(49):. PubMed ID: 34521073 [TBL] [Abstract][Full Text] [Related]
9. A combined helium atom scattering and density-functional theory study of the Nb(100) surface oxide reconstruction: Phonon band structures and vibrational dynamics. McMillan AA; Thompson CJ; Kelley MM; Graham JD; Arias TA; Sibener SJ J Chem Phys; 2022 Mar; 156(12):124702. PubMed ID: 35364873 [TBL] [Abstract][Full Text] [Related]
10. Partitioning interatomic force constants for first-principles phonon calculations: applications to NaCl, PbTiO Lee CC; Hsu CE; Hsueh HC J Phys Condens Matter; 2020 Dec; 33(5):. PubMed ID: 33086197 [TBL] [Abstract][Full Text] [Related]
11. Phonon density of states for α-plutonium from density-functional theory. Söderlind P; Yang LH Sci Rep; 2019 Dec; 9(1):18682. PubMed ID: 31822782 [TBL] [Abstract][Full Text] [Related]
12. Lattice instability and martensitic transformation in LaAg predicted from first-principles theory. Vaitheeswaran G; Kanchana V; Zhang X; Ma Y; Svane A; Kaul SN J Phys Condens Matter; 2012 Feb; 24(7):075402. PubMed ID: 22293081 [TBL] [Abstract][Full Text] [Related]
13. Positive vibrational entropy of chemical ordering in FeV. Muñoz JA; Lucas MS; Delaire O; Winterrose ML; Mauger L; Li CW; Sheets AO; Stone MB; Abernathy DL; Xiao Y; Chow P; Fultz B Phys Rev Lett; 2011 Sep; 107(11):115501. PubMed ID: 22026683 [TBL] [Abstract][Full Text] [Related]
15. Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics. Li CW; Hellman O; Ma J; May AF; Cao HB; Chen X; Christianson AD; Ehlers G; Singh DJ; Sales BC; Delaire O Phys Rev Lett; 2014 May; 112(17):175501. PubMed ID: 24836255 [TBL] [Abstract][Full Text] [Related]
16. Investigating anomalous thermal expansion of copper halides by inelastic neutron scattering and ab initio phonon calculations. Gopakumar AM; Gupta MK; Mittal R; Rols S; Chaplot SL Phys Chem Chem Phys; 2017 May; 19(19):12107-12116. PubMed ID: 28443875 [TBL] [Abstract][Full Text] [Related]
17. The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects. Monacelli L; Bianco R; Cherubini M; Calandra M; Errea I; Mauri F J Phys Condens Matter; 2021 Jul; 33(36):. PubMed ID: 34049302 [TBL] [Abstract][Full Text] [Related]
18. Soft surfaces of nanomaterials enable strong phonon interactions. Bozyigit D; Yazdani N; Yarema M; Yarema O; Lin WM; Volk S; Vuttivorakulchai K; Luisier M; Juranyi F; Wood V Nature; 2016 Mar; 531(7596):618-22. PubMed ID: 26958836 [TBL] [Abstract][Full Text] [Related]
19. Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids. Zacharias M; Seiler H; Caruso F; Zahn D; Giustino F; Kelires PC; Ernstorfer R Phys Rev Lett; 2021 Nov; 127(20):207401. PubMed ID: 34860053 [TBL] [Abstract][Full Text] [Related]
20. What is the structure of kaolinite? Reconciling theory and experiment. White CE; Provis JL; Riley DP; Kearley GJ; van Deventer JS J Phys Chem B; 2009 May; 113(19):6756-65. PubMed ID: 19388633 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]