Orbitally driven giant phonon anharmonicity in SnSe

Li, C. W.; Hong, J.; May, A. F.; Bansal, D.; Chi, S.; Hong, T.; Ehlers, G.; Delaire, O.

doi:10.1038/nphys3492

Title: Orbitally driven giant phonon anharmonicity in SnSe

Journal Article · Mon Oct 19 00:00:00 EDT 2015 · Nature Physics

DOI:https://doi.org/10.1038/nphys3492· OSTI ID:1371007

;

; May, A. F.;

; Chi, S.; Hong, T.; Ehlers, G.; Delaire, O.

Understanding elementary excitations and their couplings in condensed matter systems is critical for developing better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The current record material for thermoelectric conversion efficiency, SnSe, has an ultralow thermal conductivity, but the mechanism behind the strong phonon scattering remains largely unknown. From inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and found the origin of the ionic-potential anharmonicity responsible for the unique properties of SnSe. We show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. The present results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers new insights on how electron–phonon and phonon–phonon interactions may lead to the realization of ultralow thermal conductivity.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001299; FG02-09ER46577

OSTI ID:: 1371007

Journal Information:: Nature Physics, Vol. 11, Issue 12; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; ISSN 1745-2473

Publisher:: Nature Publishing Group (NPG)

Country of Publication:: United States

Language:: English

References (40)

Thermoelectric properties of p-type polycrystalline SnSe doped with Ag Chen, Cheng-Lung; Wang, Heng; Chen, Yang-Yuan Journal of Materials Chemistry A, Vol. 2, Issue 29, p. 11171-11176 https://doi.org/10.1039/C4TA01643B	journal	January 2014
Low thermal conductivity and triaxial phononic anisotropy of SnSe Carrete, Jesús; Mingo, Natalio; Curtarolo, Stefano Applied Physics Letters, Vol. 105, Issue 10 https://doi.org/10.1063/1.4895770	journal	September 2014
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
ShengBTE: A solver of the Boltzmann transport equation for phonons Li, Wu; Carrete, Jesús; A. Katcho, Nebil Computer Physics Communications, Vol. 185, Issue 6 https://doi.org/10.1016/j.cpc.2014.02.015	journal	June 2014
Assessment of the thermoelectric performance of polycrystalline p-type SnSe Sassi, S.; Candolfi, C.; Vaney, J.-B. Applied Physics Letters, Vol. 104, Issue 21, Article No. 212105 https://doi.org/10.1063/1.4880817	journal	May 2014
Peierls distortion as a route to high thermoelectric performance in In4Se3-δ crystals Rhyee, Jong-Soo; Lee, Kyu Hyoung; Lee, Sang Mock Nature, Vol. 459, Issue 7249 https://doi.org/10.1038/nature08088	journal	June 2009
Infrared and Raman spectra of the IV-VI compounds SnS and SnSe Chandrasekhar, H. R.; Humphreys, R. G.; Zwick, U. Physical Review B, Vol. 15, Issue 4 https://doi.org/10.1103/PhysRevB.15.2177	journal	February 1977
Mantid—Data analysis and visualization package for neutron scattering and $μ$ SR experiments Arnold, O.; Bilheux, J. C.; Borreguero, J. M. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764 https://doi.org/10.1016/j.nima.2014.07.029	journal	November 2014
Localized vibrational modes in metallic solids Keppens, V.; Mandrus, D.; Sales, B. C. Nature, Vol. 395, Issue 6705 https://doi.org/10.1038/27625	journal	October 1998
Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2 Ma, J.; Delaire, O.; May, A. F. arXiv https://doi.org/10.48550/arxiv.1401.2595	text	January 2014
Resonant bonding leads to low lattice thermal conductivity Lee, Sangyeop; Esfarjani, Keivan; Luo, Tengfei Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4525	journal	April 2014
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Anharmonic crystals Cowley, R. A. Reports on Progress in Physics, Vol. 31, Issue 1 https://doi.org/10.1088/0034-4885/31/1/303	journal	January 1968
High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys Poudel, B.; Hao, Q.; Ma, Y. Science, Vol. 320, Issue 5876, p. 634-638 https://doi.org/10.1126/science.1156446	journal	May 2008
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
Ultralow Thermal Conductivity in Disordered, Layered WSe₂ Crystals Chiritescu, C.; Cahill, D. G.; Nguyen, N. Science, Vol. 315, Issue 5810, p. 351-353 https://doi.org/10.1126/science.1136494	journal	January 2007
First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb Waghmare, U. V.; Spaldin, N. A.; Kandpal, H. C. Physical Review B, Vol. 67, Issue 12 https://doi.org/10.1103/PhysRevB.67.125111	journal	March 2003
High-performance bulk thermoelectrics with all-scale hierarchical architectures Biswas, Kanishka; He, Jiaqing; Blum, Ivan D. Nature, Vol. 489, Issue 7416, p. 414-418 https://doi.org/10.1038/nature11439	journal	September 2012
769. The stereochemistry of B subgroup metals. Part II. The inert pair Orgel, L. E. Journal of the Chemical Society (Resumed) https://doi.org/10.1039/jr9590003815	journal	January 1959
Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals Zhao, Li-Dong; Lo, Shih-Han; Zhang, Yongsheng Nature, Vol. 508, Issue 7496, p. 373-377 https://doi.org/10.1038/nature13184	journal	April 2014
The new cold neutron chopper spectrometer at the Spallation Neutron Source: Design and performance Ehlers, G.; Podlesnyak, A. A.; Niedziela, J. L. Review of Scientific Instruments, Vol. 82, Issue 8 https://doi.org/10.1063/1.3626935	journal	August 2011
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
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
Avoided crossing of rattler modes in thermoelectric materials Christensen, Mogens; Abrahamsen, Asger B.; Christensen, Niels B. Nature Materials, Vol. 7, Issue 10 https://doi.org/10.1038/nmat2273	journal	August 2008
Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2 Ma, J.; Delaire, O.; May, A. F. Nature Nanotechnology, Vol. 8, Issue 6 https://doi.org/10.1038/nnano.2013.95	journal	June 2013
Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory Wu, Xifan; Vanderbilt, David; Hamann, D. R. Physical Review B, Vol. 72, Issue 3 https://doi.org/10.1103/PhysRevB.72.035105	journal	July 2005
Breakdown of phonon glass paradigm in La- and Ce-filled Fe4Sb12 skutterudites Koza, Michael Marek; Johnson, Mark Robert; Viennois, Romain Nature Materials, Vol. 7, Issue 10 https://doi.org/10.1038/nmat2260	journal	August 2008
Crystal stability and the theory of ferroelectricity Cochran, W. Advances in Physics, Vol. 9, Issue 36 https://doi.org/10.1080/00018736000101229	journal	October 1960
Suppression of thermal conductivity by rattling modes in thermoelectric sodium cobaltate Voneshen, D. J.; Refson, K.; Borissenko, E. Nature Materials, Vol. 12, Issue 11 https://doi.org/10.1038/nmat3739	journal	August 2013
Complex thermoelectric materials Snyder, G. Jeffrey; Toberer, Eric S. Nature Materials, Vol. 7, Issue 2, p. 105-114 https://doi.org/10.1038/nmat2090	journal	February 2008
Diatomic Ferroelectrics Pawley, G. S.; Cochran, W.; Cowley, R. A. Physical Review Letters, Vol. 17, Issue 14 https://doi.org/10.1103/PhysRevLett.17.753	journal	October 1966
Neutron diffraction study of the structural phase transition in SnS and SnSe Chattopadhyay, T.; Pannetier, J.; Von Schnering, H. G. Journal of Physics and Chemistry of Solids, Vol. 47, Issue 9, p. 879-885 https://doi.org/10.1016/0022-3697(86)90059-4	journal	January 1986
Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory Wu, Xifan; Vanderbilt, David; Hamann, D. R. arXiv https://doi.org/10.48550/arxiv.cond-mat/0501548	text	January 2005
Tin sulfide, tellurium iodide ((Te2)2I2), and related compounds: symmetry-controlled deformations in solid-state materials Tremel, Wolfgang; Hoffmann, Roald Inorganic Chemistry, Vol. 26, Issue 1 https://doi.org/10.1021/ic00248a024	journal	January 1987
Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics Li, C. W.; Hellman, O.; Ma, J. Physical Review Letters, Vol. 112, Issue 17 https://doi.org/10.1103/PhysRevLett.112.175501	journal	April 2014
Giant anharmonic phonon scattering in PbTe Delaire, O.; Ma, J.; Marty, K. Nature Materials, Vol. 10, Issue 8, p. 614-619 https://doi.org/10.1038/nmat3035	journal	June 2011
Complex thermoelectric materials Snyder, G. Jeffrey; Toberer, Eric S. Materials for Sustainable Energy https://doi.org/10.1142/9789814317665_0016	book	October 2010
Bulk nanostructured thermoelectric materials: current research and future prospects Minnich, A. J.; Dresselhaus, M. S.; Ren, Z. F. Energy & Environmental Science, Vol. 2, Issue 5 https://doi.org/10.1039/b822664b	journal	January 2009
First-principles calculations of the ferroelastic transition between rutile-type and ${CaCl}_{2}$ -type ${SiO}_{2}$ at high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao Physical Review B, Vol. 78, Issue 13 https://doi.org/10.1103/PhysRevB.78.134106	journal	October 2008
Structure and temperature transformation of SnSe. Stabilization of a new cubic phase Sn4Bi2Se7 Adouby, K.; Pérez-Vicente, C.; Jumas, J. C. Zeitschrift für Kristallographie - Crystalline Materials, Vol. 213, Issue 6 https://doi.org/10.1524/zkri.1998.213.6.343	journal	January 1998

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Stability and magnetic properties of SnSe monolayer doped by transition metal atom (Mn, Fe, and Co): a first-principles study Tang, Chao; Li, Qinwen; Zhang, Chunxiao Journal of Physics D: Applied Physics, Vol. 51, Issue 24 https://doi.org/10.1088/1361-6463/aac3eb	journal	May 2018
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Tuning ferroelectricity by charge doping in two-dimensional SnSe Zhu, Liying; Lu, Yan; Wang, Li Journal of Applied Physics, Vol. 127, Issue 1 https://doi.org/10.1063/1.5123296	journal	January 2020
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Critical mode and band-gap-controlled bipolar thermoelectric properties of SnSe Loa, I.; Popuri, S. R.; Fortes, A. D. Physical Review Materials, Vol. 2, Issue 8 https://doi.org/10.1103/physrevmaterials.2.085405	journal	August 2018
Advances in thermoelectrics Mao, Jun; Liu, Zihang; Zhou, Jiawei Advances in Physics, Vol. 67, Issue 2 https://doi.org/10.1080/00018732.2018.1551715	journal	April 2018
Bond-photon-phonon thermal relaxation in the M(X, X ₂ ) (M = Mo, Re, Ta, Ge, Sn; X = S, Se, and Te) Liu, Yonghui; Xiao, Hongwei; Luo, Li RSC Advances, Vol. 10, Issue 9 https://doi.org/10.1039/c9ra10288d	journal	January 2020
Coherent optical phonon oscillation and possible electronic softening in WTe2 crystals He, Bin; Zhang, Chunfeng; Zhu, Weida Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep30487	journal	July 2016
Heavy Doping by Bromine to Improve the Thermoelectric Properties of n-type Polycrystalline SnSe Li, Shan; Wang, Yumei; Chen, Chen Advanced Science, Vol. 5, Issue 9 https://doi.org/10.1002/advs.201800598	journal	July 2018
Thermoelectric properties of (Ba,K)Cd2As2 crystallized in the CaAl2Si2-type structure Kunioka, H.; Kihou, K.; Nishiate, H. arXiv https://doi.org/10.48550/arxiv.1811.10867	text	January 2018
Dopant-induced indirect-direct transition and semiconductor-semimetal transition of bilayer SnSe Sirikumara, Hansika I.; Morshed, Mahir; Jameson, Casey Journal of Applied Physics, Vol. 126, Issue 22 https://doi.org/10.1063/1.5128337	journal	December 2019
Unusually large chemical potential shift in a degenerate semiconductor: Angle-resolved photoemission study of SnSe and Na-doped SnSe Maeda, M.; Yamamoto, K.; Mizokawa, T. Physical Review B, Vol. 97, Issue 12 https://doi.org/10.1103/physrevb.97.121110	journal	March 2018
Three-Stage Inter-Orthorhombic Evolution and High Thermoelectric Performance in Ag-Doped Nanolaminar SnSe Polycrystals Zhang, Lijuan; Wang, Jianli; Sun, Qiao Advanced Energy Materials, Vol. 7, Issue 19 https://doi.org/10.1002/aenm.201700573	journal	June 2017
High thermoelectric performance in low-cost SnS _0.91 Se _0.09 crystals He, Wenke; Wang, Dongyang; Wu, Haijun Science, Vol. 365, Issue 6460 https://doi.org/10.1126/science.aax5123	journal	September 2019
Resonant bonding driven giant phonon anharmonicity and low thermal conductivity of phosphorene Qin, Guangzhao; Zhang, Xiaoliang; Yue, Sheng-Ying Physical Review B, Vol. 94, Issue 16 https://doi.org/10.1103/physrevb.94.165445	journal	October 2016
Orpiment under compression: metavalent bonding at high pressure Cuenca-Gotor, Vanesa Paula; Sans, Juan Ángel; Gomis, Oscar Physical Chemistry Chemical Physics, Vol. 22, Issue 6 https://doi.org/10.1039/c9cp06298j	journal	January 2020
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe Aseginolaza, Unai; Bianco, Raffaello; Monacelli, Lorenzo arXiv https://doi.org/10.48550/arxiv.1807.07726	text	January 2018
Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon Kim, D. S.; Hellman, O.; Herriman, J. Proceedings of the National Academy of Sciences, Vol. 115, Issue 9 https://doi.org/10.1073/pnas.1707745115	journal	February 2018
Enhanced thermoelectric properties of p-type polycrystalline SnSe by regulating the anisotropic crystal growth and Sn vacancy Liu, Chengyan; Miao, Lei; Wang, Xiaoyang Chinese Physics B, Vol. 27, Issue 4 https://doi.org/10.1088/1674-1056/27/4/047211	journal	April 2018
Lattice thermal conductivity of ${Bi}_{2} {Te}_{3}$ and SnSe using Debye-Callaway and Monte Carlo phonon transport modeling: Application to nanofilms and nanowires Al-Alam, Patricia; Pernot, Gilles; Isaiev, Mykola Physical Review B, Vol. 100, Issue 11 https://doi.org/10.1103/physrevb.100.115304	journal	September 2019
Water splits to degrade two-dimensional group-IV monochalcogenides in nanoseconds Barraza-Lopez, Salvador; Kaloni, Thaneshwor P. arXiv https://doi.org/10.48550/arxiv.1810.02841	text	January 2018
Crystal structure and improved thermoelectric performance of iron stabilized cubic Cu ₃ SbS ₃ compound Du, Baoli; Zhang, Ruizhi; Liu, Ming Journal of Materials Chemistry C, Vol. 7, Issue 2 https://doi.org/10.1039/c8tc05301d	journal	January 2019
Accelerating evaluation of converged lattice thermal conductivity Qin, Guangzhao; Hu, Ming RWTH Aachen University https://doi.org/10.18154/rwth-2018-225986	text	January 2018
Anomalously temperature-dependent thermal conductivity of monolayer GaN with large deviations from the traditional $1 / T$ law Qin, Guangzhao; Qin, Zhenzhen; Wang, Huimin Physical Review B, Vol. 95, Issue 19 https://doi.org/10.1103/physrevb.95.195416	journal	May 2017
Structural evolution of a Ge-substituted SnSe thermoelectric material with low thermal conductivity Serrano-Sánchez, Federico; Nemes, Norbert M.; Martínez, José Luis Journal of Applied Crystallography, Vol. 51, Issue 2 https://doi.org/10.1107/s1600576718000808	journal	February 2018
Solute manipulation enabled band and defect engineering for thermoelectric enhancements of SnTe Yao, Zhichao; Li, Wen; Tang, Jing InfoMat, Vol. 1, Issue 4 https://doi.org/10.1002/inf2.12044	journal	October 2019
Band Structure of the IV-VI Black Phosphorus Analog and Thermoelectric SnSe Pletikosić, Ivo; Von Rohr, Fabian; Pervan, Petar American Physical Society https://doi.org/10.5167/uzh-167495	text	January 2018
Direct atomic-scale observation of the Ag ⁺ diffusion structure in the quasi-2D “liquid-like” state of superionic thermoelectric AgCrSe ₂ Xie, Lin; Wu, Di; Yang, Hongliang Journal of Materials Chemistry C, Vol. 7, Issue 30 https://doi.org/10.1039/c9tc03235e	journal	January 2019
Achieving zT > 1 in Inexpensive Zintl Phase Ca ₉ Zn ₄₊ _x Sb ₉ by Phase Boundary Mapping Ohno, Saneyuki; Aydemir, Umut; Amsler, Maximilian Advanced Functional Materials, Vol. 27, Issue 20 https://doi.org/10.1002/adfm.201606361	journal	March 2017
Thermal Transport in 2D Semiconductors—Considerations for Device Applications Zhao, Yunshan; Cai, Yongqing; Zhang, Lifa Advanced Functional Materials, Vol. 30, Issue 8 https://doi.org/10.1002/adfm.201903929	journal	August 2019
Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe2 Niedziela, Jennifer L.; Bansal, Dipanshu; May, Andrew F. Nature Physics, Vol. 15, Issue 1 https://doi.org/10.1038/s41567-018-0298-2	journal	October 2018
High Thermoelectric Performance in Polycrystalline SnSe Via Dual-Doping with Ag/Na and Nanostructuring With Ag ₈ SnSe ₆ Luo, Yubo; Cai, Songting; Hua, Xia Advanced Energy Materials, Vol. 9, Issue 2 https://doi.org/10.1002/aenm.201803072	journal	November 2018
Ultralow Thermal Conductivity in Full Heusler Semiconductors He, Jiangang; Amsler, Maximilian; Xia, Yi American Physical Society https://doi.org/10.5451/unibas-ep53943	text	January 2016
Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg3Sb2 and related materials Zhang, Jiawei; Song, Lirong; Sist, Mattia Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06980-x	journal	November 2018
Understanding of the Extremely Low Thermal Conductivity in High-Performance Polycrystalline SnSe through Potassium Doping Chen, Yue-Xing; Ge, Zhen-Hua; Yin, Meijie Advanced Functional Materials, Vol. 26, Issue 37 https://doi.org/10.1002/adfm.201602652	journal	August 2016
Thermoelectric Performance of IV-VI Compounds with Octahedral-Like Coordination: A Chemical-Bonding Perspective Cagnoni, Matteo; Führen, Daniel; Wuttig, Matthias Advanced Materials, Vol. 30, Issue 33 https://doi.org/10.1002/adma.201801787	journal	July 2018
Large thermoelectric power factors and impact of texturing on the thermal conductivity in polycrystalline SnSe Popuri, S. R.; Pollet, M.; Decourt, R. Journal of Materials Chemistry C, Vol. 4, Issue 8 https://doi.org/10.1039/c6tc00204h	journal	January 2016
Mode Grüneisen parameters of an efficient thermoelectric half-Heusler Pang, Hong-Jie; Chen, Liu-Cheng; Cao, Zi-Yu Journal of Applied Physics, Vol. 124, Issue 19 https://doi.org/10.1063/1.5050697	journal	November 2018
Enhanced thermoelectric properties of SnSe polycrystals via texture control Feng, Dan; Ge, Zhen-Hua; Wu, Di Physical Chemistry Chemical Physics, Vol. 18, Issue 46 https://doi.org/10.1039/c6cp06466c	journal	January 2016
Tin Selenide (SnSe): Growth, Properties, and Applications Shi, Weiran; Gao, Minxuan; Wei, Jinping Advanced Science, Vol. 5, Issue 4 https://doi.org/10.1002/advs.201700602	journal	January 2018
Thermoelectric Figure-of-Merit of Fully Dense Single-Crystalline SnSe Wei, Pai-Chun; Bhattacharya, Sriparna; Liu, Yu-Fei ACS Omega, Vol. 4, Issue 3 https://doi.org/10.1021/acsomega.8b03323	journal	March 2019
3D charge and 2D phonon transports leading to high out-of-plane ZT in n-type SnSe crystals Chang, Cheng; Wu, Minghui; He, Dongsheng Science, Vol. 360, Issue 6390 https://doi.org/10.1126/science.aaq1479	journal	May 2018
Modulation of thermal conductivity and thermoelectric figure of merit by anharmonic lattice vibration in Sb ₂ Te ₃ thermoelectrics Das, Diptasikha; Malik, K.; Das, Subarna AIP Advances, Vol. 8, Issue 12 https://doi.org/10.1063/1.5053174	journal	December 2018
Electronic and Thermoelectric Properties of SnSe1−xS x (x = 0, 0.25, 0.5, 0.75, and 1) Alloys: First-Principles Calculations Hamad, Bothina Journal of Electronic Materials, Vol. 47, Issue 7 https://doi.org/10.1007/s11664-018-6291-9	journal	April 2018

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Title: Orbitally driven giant phonon anharmonicity in SnSe

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