Prediction of a New Phase of Cu<sub><i>x</i></sub>S near Stoichiometric Composition

<div>Band Structures for acanthite like structure (Cu<sub>1.98</sub>S) with DFT and DFT + <svg height="9.21094pt" id="M63" style="vertical-align:-0.2129908pt" version="1.1" viewbox="-0.0498162 -8.99795 9.98608 9.21094" width="9.98608pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.0135,0,0,-0.0135,0,0)"><path d="M715 650H476L470 622C550 619 562 610 562 570C562 536 553 481 535 384L523 321C485 121 408 37 283 37C178 37 99 109 134 297L178 532C193 612 199 616 278 622L284 650H29L23 622C105 616 109 609 94 532L48 291C23 160 51 83 98 40C143 -1 202 -16 260 -16C321 -16 387 3 439 49C509 111 542 204 563 312L577 384C595 479 608 533 619 569C629 603 637 620 709 622L715 650Z" id="g113-86"></path><glyph.data ascent="3473" descent="-2876" horiz-adv-x="727" vert-adv-y="727"></glyph.data></g></svg> theories.</div>

International Journal of Photoenergy

fig3

Figure 3

Figure 3: Prediction of a New Phase of Cu<sub><i>x</i></sub>S near Stoichiometric Composition 

International Journal of Photoenergy

Prediction of a New Phase of CuxS near Stoichiometric Composition

Figure 3

Prediction of a New Phase of Cu_xS near Stoichiometric Composition