First-Principles Study of Structure, Elastic Properties, and Thermal Conductivity of Monolayer Calcium Hydrobromide

<div>Lattice thermal conductivity <svg height="9.25202pt" id="M67" style="vertical-align:-3.29111pt" version="1.1" viewbox="-0.0498162 -5.96091 9.44481 9.25202" width="9.44481pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M484 406C484 429 465 448 438 448C400 448 352 405 302 356L156 213L191 373C195 391 197 404 197 416C197 436 191 448 178 448C151 448 83 406 23 350L37 328C67 350 101 369 109 369C114 369 115 362 111 344L29 -5L34 -12C63 -5 86 -1 111 3C124 73 137 138 147 161C165 180 189 202 206 217C215 194 249 111 275 57C304 -1 319 -12 342 -12C368 -12 405 -5 471 92L454 115C427 80 395 55 384 55C374 55 364 58 341 106L262 274C282 296 367 378 414 378C427 378 440 370 444 367C449 363 454 362 462 368C476 379 484 395 484 406Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,6.266,3.132)"><path d="M227 95L212 119C187 98 152 71 135 71C129 71 128 78 134 102L207 373C219 418 217 451 194 451C165 451 92 411 30 351L44 326C77 353 106 371 114 371C124 371 121 357 117 341L55 97C32 5 46 -12 70 -12C108 -12 191 51 227 95Z"></path></g></svg> of monolayer CaHBr at different temperatures ranging from 30 K to 1200 K. Black squares, our results from RTA; red circles, our results from iterative solution of BTE with scalebroad = 1.0.</div>

Advances in Condensed Matter Physics

fig7

Figure 7

Figure 7: First-Principles Study of Structure, Elastic Properties, and Thermal Conductivity of Monolayer Calcium Hydrobromide 