Works matching DE "PHONON dispersion relations"

Results: 99

The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling.

Published in:

Angewandte Chemie, 2016, v. 128, n. 27, p. 7923, doi. 10.1002/ange.201511737

By:

Jana, Manoj K.;
Pal, Koushik;
Waghmare, Umesh V.;
Biswas, Kanishka

Publication type:

Article

First Principles Thermodynamics of Minerals at HP--HT Conditions: MgO as a Prototypical Material.

Published in:

Minerals (2075-163X), 2017, v. 7, n. 10, p. 183, doi. 10.3390/min7100183

By:

Belmonte, Donato

Publication type:

Article

First Principles Study of Cerium Monochalcogenides.

Published in:

Advances in Condensed Matter Physics, 2014, p. 1, doi. 10.1155/2014/780245

By:

Eryiğit, Recep

Publication type:

Article

First principle studies on the structures, electronic properties and Raman spectrums of monolayer WX2 (X = S, Se, Te) under strain condition.

Published in:

Modern Physics Letters B, 2021, v. 35, n. 8, p. N.PAG, doi. 10.1142/S0217984921501359

By:

Huang, Shan;
Wang, Yanping;
Fan, Yawen;
Feng, Jinjiao;
Zhao, Hui;
Zhang, Yang

Publication type:

Article

Theory of renormalized phonon group velocity in high-temperature superconductors.

Published in:

Modern Physics Letters B, 2019, v. 33, n. 27, p. N.PAG, doi. 10.1142/S0217984919503378

By:

Verma, Sanjeev K.;
Gupta, Anushri;
Kumari, Anita;
Indu, B. D.

Publication type:

Article

DFT study of CuCoMnX (X = Si, Sn, Sb) quaternary Heusler alloys for phonon spectra.

Published in:

Modern Physics Letters B, 2019, v. 33, n. 12, p. N.PAG, doi. 10.1142/S0217984919501550

By:

Afaq, A.;
Asif, Ayesha;
Bakar, Abu;
Rizwan, M.;
Munir, H. Bushra;
Shanian, M. B.;
Asif, Muhammad

Publication type:

Article

The first principle study of electronic and optical properties in rhombohedral BiAlO3.

Published in:

Modern Physics Letters B, 2016, v. 30, n. 3, p. -1, doi. 10.1142/S0217984916500068

By:

Tse, Geoffrey;
Yu, Dapeng

Publication type:

Article

First-principles studies of phase transition and structural stability of 2 under pressure.

Published in:

Modern Physics Letters B, 2014, v. 28, n. 24, p. -1, doi. 10.1142/S0217984914501905

By:

Lu, Yi-Lin;
Zhao, Hui

Publication type:

Article

AB INITIO STUDY OF PHONON DISPERSION AND ELASTIC PROPERTIES OF L12 INTERMETALLICS Ti3Al AND Y3Al.

Published in:

Modern Physics Letters B, 2013, v. 27, n. 30, p. 1350224-1, doi. 10.1142/S0217984913502242

By:

ARIKAN, N.;
ERSEN, M.;
OCAK, H. Y.;
İYIGÖR, A.;
CANDAN, A.;
UǦUR, Ş;
UǦUR, G.;
KHENATA, R.;
VARSHNEY, D.

Publication type:

Article

Phonon and Thermodynamic Properties in YNi2B2C and LuNi2B2C from First-Principles Study.

Published in:

Journal of Superconductivity & Novel Magnetism, 2018, v. 31, n. 6, p. 1925, doi. 10.1007/s10948-017-4442-5

By:

Liu, Lili;
Wu, Xiaozhi;
Xu, Weiwei;
Wang, Rui;
Shu, Chunjun;
Liu, Dingxing

Publication type:

Article

A Complete and Accurate Description of Superconductivity of AlB2-Type Structures from Phonon Dispersion Calculations.

Published in:

Journal of Superconductivity & Novel Magnetism, 2018, v. 31, n. 3, p. 727, doi. 10.1007/s10948-017-4328-6

By:

Alarco, Jose A.;
Talbot, Peter C.;
Mackinnon, Ian D. R.

Publication type:

Article

Why HfB is not Superconductor.

Published in:

Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 2, p. 719, doi. 10.1007/s10948-014-2732-8

By:

Sichkar, S.

Publication type:

Article

Effect of out-of-plane acoustic phonons on the thermal transport properties of graphene.

Published in:

Condensed Matter Physics, 2023, v. 26, n. 4, p. 1, doi. 10.5488/CMP.26.43603

By:

Chen, J.;
Liu, Y.

Publication type:

Article

Computational study of structural, elastic, electronic, phonon dispersion relation and thermodynamic properties of orthorhombic CaZrS3 for optoelectronic applications.

Published in:

Condensed Matter Physics, 2023, v. 26, n. 2, p. 1, doi. 10.5488/CMP.26.23701

By:

Kassa, M. D.;
Debelo, N. G.;
Woldemariam, M. M.

Publication type:

Article

Second gradient continuum model for anisotropic elastic and piezoelectric structures calibrated based on phonon dispersion relations.

Published in:

Mathematics & Mechanics of Solids, 2023, v. 28, n. 10, p. 2326, doi. 10.1177/10812865231160733

By:

Solyaev, Yury

Publication type:

Article

Lattice dynamics and the incommensurability of the structures of hexagonal polytypes of diamond.

Published in:

Optics & Spectroscopy, 2014, v. 117, n. 2, p. 228, doi. 10.1134/S0030400X14080141

By:

Ivanova, T.;
Mavrin, B.

Publication type:

Article

Ab initio calculations of phonon dispersion in CdGaSe.

Published in:

Semiconductors, 2017, v. 51, n. 5, p. 556, doi. 10.1134/S1063782617050074

By:

Dzhakhangirli, Z.;
Kerimova, T.;
Abdullayev, N.;
Mamedova, I.;
Mamedov, N.

Publication type:

Article

Ab Initio Calculations of Phonon Dispersion in ZnGaSe.

Published in:

Semiconductors, 2016, v. 50, n. 3, p. 285, doi. 10.1134/S1063782616030088

By:

Dzhakhangirli, Z.;
Kerimova, T.;
Abdullaev, N.

Publication type:

Article

Reststrahlen Band Studies of RuCrX (X = Si, Ge, Sn) Half Heusler Alloys.

Published in:

Journal of Electronic Materials, 2019, v. 48, n. 8, p. 5323, doi. 10.1007/s11664-019-07342-z

By:

Afaq, A.;
Maaz, Hassan;
Bakar, Abu;
Jamil, M. Imran

Publication type:

Article

The Effect of Pressure on Elastic Anisotropy, Vibration and Optical Properties of a AgScSi Compound.

Published in:

Journal of Electronic Materials, 2019, v. 48, n. 6, p. 4050, doi. 10.1007/s11664-019-07167-w

By:

Kars Durukan, İ.;
Öztekin Çiftci, Y.

Publication type:

Article

Ab Initio Investigation of Vibrational, Optical and Thermodynamics Properties of Yttrium Arsenide.

Published in:

Journal of Electronic Materials, 2017, v. 46, n. 10, p. 5670, doi. 10.1007/s11664-017-5623-5

By:

Kansara, Shivam;
Singh, Deobrat;
Gupta, Sanjeev;
Sonvane, Yogesh

Publication type:

Article

Unbalanced Superconductivity Induced by the Constant Electron–Phonon Coupling on a Square Lattice.

Published in:

Annalen der Physik, 2018, v. 530, n. 11, p. N.PAG, doi. 10.1002/andp.201800139

By:

Szewczyk, Kamila A.;
Szczȩśniak, Radosław;
Szczȩśniak, Dominik

Publication type:

Article

Moiré-induced replica of graphene phonons on Ir(111).

Published in:

Annalen der Physik, 2014, v. 526, n. 9/10, p. 372, doi. 10.1002/andp.201400091

By:

Endlich, Michael;
Miranda, Henrique P. C.;
Molina‐Sánchez, Alejandro;
Wirtz, Ludger;
Kröger, Jörg

Publication type:

Article

First low-spin carbodiimide, Fe2(NCN)3, predicted from first-principles investigations.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2021, v. 76, n. 10-12, p. 783, doi. 10.1515/znb-2021-0128

By:

Chen, Hao;
Xiang, Hongping

Publication type:

Article

A first-principles study on the physical properties of two-dimensional Nb3Cl8, Nb3Br8 and Nb3I8.

Published in:

Applied Physics A: Materials Science & Processing, 2022, v. 128, n. 10, p. 1, doi. 10.1007/s00339-022-06011-z

By:

Mortazavi, Bohayra;
Zhuang, Xiaoying;
Rabczuk, Timon

Publication type:

Article

Effects of pre-stress and surface stress on phonon thermal conductivity of rectangular Si nanowires.

Published in:

Applied Physics A: Materials Science & Processing, 2015, v. 119, n. 1, p. 253, doi. 10.1007/s00339-014-8958-2

By:

Zhu, Linli;
Ruan, Haihui

Publication type:

Article

Application of Deep-Learning Potential in Simulating the Structural and Physical Characteristics of Platinum.

Published in:

Computers, Materials & Continua, 2025, v. 83, n. 1, p. 685, doi. 10.32604/cmc.2025.060713

By:

Chen, Keyuan;
Zhang, Xingkao;
Ma, Li;
Ye, Jueyi;
Qiu, Qi;
Zhang, Haoxiang;
Rong, Ju;
Sui, Yudong;
Yu, Xiaohua;
Feng, Jing

Publication type:

Article

Delocalized Nonlinear Vibrational Modes in Bcc Lattice for Testing and Improving Interatomic Potentials.

Published in:

Computers, Materials & Continua, 2025, v. 82, n. 3, p. 3797, doi. 10.32604/cmc.2025.062079

By:

Ryabov, Denis S.;
Kosarev, Igor V.;
Xiong, Daxing;
Kudreyko, Aleksey A.;
Dmitriev, Sergey V.

Publication type:

Article

A first principle study of the structural, electronic, and temperature-dependent thermodynamic properties of graphene/MoS2 heterostructure.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 2, p. 1, doi. 10.1007/s00894-020-4306-y

By:

Hossain, Md. Tanver;
Rahman, Md. Ashiqur

Publication type:

Article

First-principles calculations of the dynamical and thermodynamic properties of lead chalcogenides PbX (X = S, Se, Te).

Published in:

Chalcogenide Letters, 2022, v. 19, n. 11, p. 793, doi. 10.15251/CL.2022.1911.793

By:

Yu, Y.;
Kong, X. G.;
Shen, Y. H.;
Yin, G. Q.

Publication type:

Article

STRUCTURAL AND VIBRATIONAL PROPERTIES OF CHALCOPYRITE CuGaTe2: A FIRST-PRINCIPLES STUDY.

Published in:

Chalcogenide Letters, 2017, v. 14, n. 10, p. 447

By:

YU, Y.;
SHEN, Y. H.;
DENG, J.;
ZHENG, X. L.;
ZHAO, G. D.

Publication type:

Article

Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning.

Published in:

Batteries, 2022, v. 8, n. 10, p. N.PAG, doi. 10.3390/batteries8100194

By:

Mortazavi, Bohayra;
Shojaei, Fazel;
Shahrokhi, Masoud;
Rabczuk, Timon;
Shapeev, Alexander V.;
Zhuang, Xiaoying

Publication type:

Article

Exploring anharmonic lattice dynamics and dielectric relations in niobate perovskites from first-principles self-consistent phonon calculations.

Published in:

NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01110-8

By:

Kim, Kwangrae;
Hwang, Woohyun;
Oh, Seung-Hyun Victor;
Soon, Aloysius

Publication type:

Article

Crystal dynamics of zinc chalcogenides I: an application to ZnS.

Published in:

Turkish Journal of Physics, 2015, v. 39, n. 3, p. 242, doi. 10.3906/fiz-1412-11

By:

DUBEY, Jay Prakash;
TIWARI, Raj Kishore;
UPADHYAYA, Kripa Shankar;
PANDEY, Pramod Kumar

Publication type:

Article

Numerical Investigation in Nitinol Lattice Stability and Safe Usage in Replacing Hard Tissue.

Published in:

Iraqi Journal of Science, 2023, v. 64, n. 6, p. 2843, doi. 10.24996/ijs.2023.64.6.15

By:

Hiadrah, Soha S.;
Al shadidi, Zina A.

Publication type:

Article

Stability of a new cubic monoxide of Thorium under pressure.

Published in:

Scientific Reports, 2015, p. 13740, doi. 10.1038/srep13740

By:

Sun, Weiwei;
Luo, Wei;
Ahuja, Rajeev

Publication type:

Article

Strain-induced quantum spin Hall effect in methyl-substituted germanane GeCH3.

Published in:

Scientific Reports, 2014, p. 1, doi. 10.1038/srep07297

By:

Yandong Ma;
Ying Dai;
Wei Wei;
Baibiao Huang;
Myung-Hwan Whangbo

Publication type:

Article

Experimental Review of Graphene.

Published in:

ISRN Condensed Matter Physics, 2012, p. 1, doi. 10.5402/2012/501686

By:

Cooper, Daniel R.;
D'Anjou, Benjamin;
Ghattamaneni, Nageswara;
Harack, Benjamin;
Hilke, Michael;
Horth, Alexandre;
Majlis, Norberto;
Massicotte, Mathieu;
Vandsburger, Leron;
Whiteway, Eric;
Yu, Victor

Publication type:

Article

Thermal Transport Evolution Due to Nanostructural Transformations in Ga-Doped Indium-Tin-Oxide Thin Films.

Published in:

Nanomaterials (2079-4991), 2021, v. 11, n. 5, p. 1126, doi. 10.3390/nano11051126

By:

Cocemasov, Alexandr;
Brinzari, Vladimir;
Jeong, Do-Gyeom;
Korotcenkov, Ghenadii;
Vatavu, Sergiu;
Lee, Jong S.;
Nika, Denis L.;
Trukhanov, Alex

Publication type:

Article

Inelastic Neutron Scattering Study of Phonon Dispersion Relation in Higher Manganese Silicides.

Published in:

Crystals (2073-4352), 2023, v. 13, n. 5, p. 741, doi. 10.3390/cryst13050741

By:

Belanger, Randy;
Clancy, James Patrick;
Jain, Sheetal;
Yamani, Zahra;
Tseng, Yu-Chih;
Kim, Young-June

Publication type:

Article

Structural and Vibrational Characteristics of Solid Naphthalene (C10H8) Through the Use of van der Waals three-body force shell (VTBFS) Model.

Published in:

Oriental Journal of Chemistry, 2022, v. 38, n. 3, p. 762, doi. 10.13005/ojc/380329

By:

SRIVASTAVA, UMESH CHANDRA;
SINGH, SHYAMENDRA PRATAP

Publication type:

Article

First-principles calculations to investigate structural, electronic, mechanical, optical, thermophysical and vibrational properties of TaFeSb.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2022, v. 36, n. 32, p. 1, doi. 10.1142/S0217979222502332

By:

Gour, Atul;
Rathore, Rahul;
Singh, Sadhna;
Arya, B. S.

Publication type:

Article

Density functional study of CoFeCrZ (Z=Al, Si, Ga, Ge) quaternary Heusler alloys for phonon spectra.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2020, v. 34, n. 25, p. N.PAG, doi. 10.1142/S021797922050215X

By:

Ahmed, Muhammad;
Afaq, A.;
Bakar, Abu;
Asif, Muhammad

Publication type:

Article

Theoretical study of phonon dispersion, elastic, mechanical and thermodynamic properties of barium chalcogenides.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2018, v. 32, n. 8, p. 1, doi. 10.1142/S0217979218500923

By:

Musari, A. A.;
Orukombo, S. A.

Publication type:

Article

Structural, electronic, elastic and lattice dynamical properties of CdIn2Te4 under pressure from first principle.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2018, v. 32, n. 3, p. -1, doi. 10.1142/S0217979218500261

By:

Zhang, Shaobo;
Shi, Liwei

Publication type:

Article

Vibrational properties of vacancy in bcc transition metals using embedded atom method potentials.

Published in:

Pramana: Journal of Physics, 2013, v. 80, n. 6, p. 1041, doi. 10.1007/s12043-013-0539-y

By:

GAIROLA, VANDANA;
SEMALTY, P;
RAM, P

Publication type:

Article

Mapping Phonon Dispersion Surfaces at Nanometer Scale.

Published in:

2023

By:

Haas, Benedikt;
Radtke, Guillaume;
Quillin, Steven C;
Lovejoy, Tracy C;
Dellby, Niklas;
Krivanek, Ondrej L;
Hammud, Adnan;
Schröder, Tim;
Koch, Christoph T

Publication type:

Abstract

Unveiling Phonon Dispersion Behavior of AlN/GaN Heterostructures Using EELS.

Published in:

2023

By:

Reyes-González, Joaquin E;
Dellby, Niklas;
Plotkin-Swing, Benjamin;
Wang, Ping;
Pandey, Ayush;
Mi, Zetian;
Lagos, Maureen J

Publication type:

Abstract

First Principles Study of the Vibrational and Thermal Properties of Sn-Based Type II Clathrates, CsxSn136 (0 ≤ x ≤ 24) and Rb24Ga24Sn112.

Published in:

Inorganics, 2019, v. 7, n. 6, p. 74, doi. 10.3390/inorganics7060074

By:

Xue, Dong;
Myles, Charles W.

Publication type:

Article

Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure.

Published in:

Crystals (2073-4352), 2017, v. 7, n. 6, p. 161, doi. 10.3390/cryst7060161

By:

Güler, Melek;
Güler, Emre

Publication type:

Article