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<!doctype html><html><head><title>View article</title><meta http-equiv="Content-Type" content="text/html;charset=UTF-8"><meta http-equiv="X-UA-Compatible" content="IE=Edge"><meta name="referrer" content="always"><meta name="viewport" content="width=device-width,initial-scale=1,minimum-scale=1,maximum-scale=2"><meta name="format-detection" content="telephone=no"><link rel="shortcut icon" href="/favicon.ico"><meta name="description" content="‪S Touam, R Belghit, R Mahdjoubi, Y Megdoud, H Meradji, MS Khan, R Ahmed, R Khenata, S Ghemid, DP Rai…‬, ‪Bulletin of Materials Science, 2020‬ - ‪Cited by 115‬"><meta property="og:description" content="‪S Touam, R Belghit, R Mahdjoubi, Y Megdoud, H Meradji, MS Khan, R Ahmed, R Khenata, S Ghemid, DP Rai…‬, ‪Bulletin of Materials Science, 2020‬ - ‪Cited by 115‬"><meta property="og:title" content="‪First-principles computations of Y _ x Ga _ 1-x Y x Ga 1-x As-ternary alloys: a study on structural, electronic, optical and elastic properties‬"><meta 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id="gsc_vcpb" data-edit-link="/citations?view_op=edit_citation&hl=en&user=e8RPO28AAAAJ&citation_for_view=e8RPO28AAAAJ:FOZckGct7WUC&citation_for_view=e8RPO28AAAAJ:FOZckGct7WUC&back_view_op=view_citation"><form method="post" id="gsc_vcpb_btns" action="/citations?view_op=view_citation&hl=en"><input type="hidden" name="xsrf" value="ADIE8skAAAAAZ0ORd4Nq1EmS3s6N9EoLE1Ih0JI"><input type="hidden" name="s" value="e8RPO28AAAAJ:FOZckGct7WUC"><input type="hidden" name="continue" value="/citations?view_op=list_works&hl=en&hl=en&user=e8RPO28AAAAJ"></form><div id="gsc_oci_title_wrapper"><div id="gsc_oci_title_gg"><div class="gsc_oci_title_ggi"><a href="https://www.ias.ac.in/article/fulltext/boms/043/0022" data-clk="hl=en&sa=T&ei=9z9CZ-rqOvO_y9YPm4_bqAY"><span class='gsc_vcd_title_ggt'>[PDF]</span> from ias.ac.in</a></div></div><div id="gsc_oci_title"><a class="gsc_oci_title_link" href="https://link.springer.com/article/10.1007/S12034-019-1978-Y" data-clk="hl=en&sa=T&ei=9z9CZ-rqOvO_y9YPm4_bqAY">First-principles computations of <svg class="gs_fsvg" aria-label=" Y x Ga 1 - x " width="77px" height="16px" style="vertical-align:-4px;"><g transform="matrix(0.01900, 0.00000, 0.00000, 0.01900, 0.00000, 13.39500)"><g><g><g><g><path transform="scale(0.48828, -0.48828)" d="M 463 0 V 72 Q 674 72 674 137 V 559 L 244 1266 Q 214 1307 160 1317 T 23 1327 V 1399 H 600 V 1327 Q 457 1327 457 1280 Q 457 1276 461 1264 L 831 653 L 1169 1208 Q 1182 1227 1182 1249 Q 1182 1290 1146 1308 T 1067 1327 V 1399 H 1511 V 1327 Q 1431 1327 1362 1298 T 1255 1210 L 858 559 V 137 Q 858 72 1069 72 V 0 H 463 Z "/><g transform="translate(750.00000, 150.00000)"><path transform="scale(0.34180, -0.34180)" d="M 215 76 Q 257 45 324 45 Q 390 45 441 102 T 508 227 L 600 596 Q 621 674 621 713 Q 621 769 588 803 T 500 838 Q 433 838 375 801 T 275 705 T 217 582 Q 214 563 197 563 H 164 Q 155 563 148 572 T 141 588 V 596 Q 174 721 277 812 T 504 903 Q 554 903 602 887 T 689 841 T 750 766 Q 791 826 850 864 T 973 903 Q 1058 903 1125 863 T 1192 745 Q 1192 710 1176 679 T 1132 630 T 1069 612 Q 1035 612 1011 633 T 987 690 Q 987 731 1013 764 T 1079 807 Q 1034 838 969 838 Q 924 838 886 810 T 822 743 T 782 655 L 690 287 Q 672 204 672 170 Q 672 114 704 79 T 793 45 Q 844 45 890 67 T 975 127 T 1039 211 T 1075 301 Q 1082 319 1098 319 H 1130 Q 1140 319 1146 311 T 1153 295 Q 1153 291 1151 287 Q 1131 205 1077 135 T 947 22 T 788 -20 Q 710 -20 643 15 T 543 117 Q 505 59 445 19 T 319 -20 Q 237 -20 169 19 T 102 137 Q 102 190 137 230 T 225 270 Q 260 270 283 249 T 307 193 Q 307 152 281 118 T 215 76 Z "/></g></g></g><g transform="translate(1253.48096, 0.00000)"><g><g><path transform="scale(0.48828, -0.48828)" d="M 471 219 Q 545 129 651 78 T 874 27 Q 988 27 1081 85 T 1174 250 V 422 Q 1174 487 918 487 V 559 H 1505 V 487 Q 1440 487 1402 476 T 1364 422 V 18 Q 1364 11 1358 5 T 1346 0 Q 1327 0 1282 45 T 1212 125 Q 1162 39 1055 -3 T 831 -45 Q 632 -45 468 57 T 210 331 T 115 700 Q 115 845 170 982 T 323 1223 T 553 1385 T 831 1444 Q 937 1444 1031 1398 T 1200 1270 L 1319 1438 Q 1331 1444 1333 1444 H 1348 Q 1354 1444 1359 1439 T 1364 1427 V 874 Q 1364 856 1348 856 H 1311 Q 1292 856 1292 874 Q 1292 933 1268 1006 T 1208 1144 T 1124 1260 Q 1009 1372 860 1372 Q 746 1372 642 1321 T 467 1180 Q 392 1084 363 961 T 334 700 Q 334 386 471 219 Z "/><path transform="matrix(0.48828, 0.00000, 0.00000, -0.48828, 784.71997, 0.00000)" d="M 82 201 Q 82 323 178 399 T 408 507 T 664 539 V 623 Q 664 682 638 737 T 563 828 T 455 864 Q 319 864 248 803 Q 287 803 312 773 T 338 705 Q 338 664 309 635 T 240 606 Q 199 606 170 635 T 141 705 Q 141 813 239 865 T 455 918 Q 538 918 622 882 T 759 781 T 813 627 V 166 Q 813 126 830 92 T 883 59 Q 917 59 933 93 T 950 166 V 297 H 1010 V 166 Q 1010 120 986 78 T 921 12 T 834 -12 Q 774 -12 730 34 T 682 145 Q 644 68 570 22 T 412 -23 Q 334 -23 258 0 T 132 72 T 82 201 Z M 248 201 Q 248 129 301 80 T 426 31 Q 492 31 546 64 T 632 154 T 664 274 V 487 Q 571 487 473 456 T 312 361 T 248 201 Z "/></g><g transform="translate(1284.71997, 150.00000)"><g><path transform="scale(0.34180, -0.34180)" d="M 233 0 V 82 Q 516 82 516 143 V 1202 Q 401 1147 219 1147 V 1229 Q 341 1229 447 1258 T 629 1360 H 666 Q 685 1355 690 1335 V 143 Q 690 82 973 82 V 0 H 233 Z "/><path transform="matrix(0.34180, 0.00000, 0.00000, -0.34180, 398.60800, 0.00000)" d="M 268 461 Q 248 464 234 477 T 221 512 Q 221 554 268 561 H 1559 Q 1606 554 1606 512 Q 1606 491 1592 477 T 1559 461 H 268 Z "/><path transform="matrix(0.34180, 0.00000, 0.00000, -0.34180, 1023.58899, 0.00000)" d="M 215 76 Q 257 45 324 45 Q 390 45 441 102 T 508 227 L 600 596 Q 621 674 621 713 Q 621 769 588 803 T 500 838 Q 433 838 375 801 T 275 705 T 217 582 Q 214 563 197 563 H 164 Q 155 563 148 572 T 141 588 V 596 Q 174 721 277 812 T 504 903 Q 554 903 602 887 T 689 841 T 750 766 Q 791 826 850 864 T 973 903 Q 1058 903 1125 863 T 1192 745 Q 1192 710 1176 679 T 1132 630 T 1069 612 Q 1035 612 1011 633 T 987 690 Q 987 731 1013 764 T 1079 807 Q 1034 838 969 838 Q 924 838 886 810 T 822 743 T 782 655 L 690 287 Q 672 204 672 170 Q 672 114 704 79 T 793 45 Q 844 45 890 67 T 975 127 T 1039 211 T 1075 301 Q 1082 319 1098 319 H 1130 Q 1140 319 1146 311 T 1153 295 Q 1153 291 1151 287 Q 1131 205 1077 135 T 947 22 T 788 -20 Q 710 -20 643 15 T 543 117 Q 505 59 445 19 T 319 -20 Q 237 -20 169 19 T 102 137 Q 102 190 137 230 T 225 270 Q 260 270 283 249 T 307 193 Q 307 152 281 118 T 215 76 Z "/></g></g></g></g></g></g></g></svg>As-ternary alloys: a study on structural, electronic, optical and elastic properties</a></div></div><div id="gsc_oci_table"><div class="gs_scl"><div class="gsc_oci_field">Authors</div><div class="gsc_oci_value">S Touam, R Belghit, R Mahdjoubi, Y Megdoud, Hocine Meradji, Muhammad Shehryar Khan, Rashid Ahmed, Rabah Khenata, Sebti Ghemid, Dibya Prakash Rai, Yarub Al-Douri</div></div><div class="gs_scl"><div class="gsc_oci_field">Publication date</div><div class="gsc_oci_value">2020/12</div></div><div class="gs_scl"><div class="gsc_oci_field">Journal</div><div class="gsc_oci_value">Bulletin of Materials Science</div></div><div class="gs_scl"><div class="gsc_oci_field">Volume</div><div class="gsc_oci_value">43</div></div><div class="gs_scl"><div class="gsc_oci_field">Pages</div><div class="gsc_oci_value">1-11</div></div><div class="gs_scl"><div class="gsc_oci_field">Publisher</div><div class="gsc_oci_value">Indian Academy of Sciences</div></div><div class="gs_scl"><div class="gsc_oci_field">Description</div><div class="gsc_oci_value" id="gsc_oci_descr"><div class="gsh_small"> <div class="gsh_csp">In this work, the first-principles computational study on the structural, elastic, electronic and optical properties of <svg class="gs_fsvg" aria-label=" Y x Ga 1 - x " width="57px" height="12px" style="vertical-align:-2px;"><g transform="matrix(0.01400, 0.00000, 0.00000, 0.01400, 0.00000, 9.87000)"><g><g><g><g><path transform="scale(0.48828, -0.48828)" d="M 463 0 V 72 Q 674 72 674 137 V 559 L 244 1266 Q 214 1307 160 1317 T 23 1327 V 1399 H 600 V 1327 Q 457 1327 457 1280 Q 457 1276 461 1264 L 831 653 L 1169 1208 Q 1182 1227 1182 1249 Q 1182 1290 1146 1308 T 1067 1327 V 1399 H 1511 V 1327 Q 1431 1327 1362 1298 T 1255 1210 L 858 559 V 137 Q 858 72 1069 72 V 0 H 463 Z "/><g transform="translate(750.00000, 150.00000)"><path transform="scale(0.34180, -0.34180)" d="M 215 76 Q 257 45 324 45 Q 390 45 441 102 T 508 227 L 600 596 Q 621 674 621 713 Q 621 769 588 803 T 500 838 Q 433 838 375 801 T 275 705 T 217 582 Q 214 563 197 563 H 164 Q 155 563 148 572 T 141 588 V 596 Q 174 721 277 812 T 504 903 Q 554 903 602 887 T 689 841 T 750 766 Q 791 826 850 864 T 973 903 Q 1058 903 1125 863 T 1192 745 Q 1192 710 1176 679 T 1132 630 T 1069 612 Q 1035 612 1011 633 T 987 690 Q 987 731 1013 764 T 1079 807 Q 1034 838 969 838 Q 924 838 886 810 T 822 743 T 782 655 L 690 287 Q 672 204 672 170 Q 672 114 704 79 T 793 45 Q 844 45 890 67 T 975 127 T 1039 211 T 1075 301 Q 1082 319 1098 319 H 1130 Q 1140 319 1146 311 T 1153 295 Q 1153 291 1151 287 Q 1131 205 1077 135 T 947 22 T 788 -20 Q 710 -20 643 15 T 543 117 Q 505 59 445 19 T 319 -20 Q 237 -20 169 19 T 102 137 Q 102 190 137 230 T 225 270 Q 260 270 283 249 T 307 193 Q 307 152 281 118 T 215 76 Z "/></g></g></g><g transform="translate(1253.48096, 0.00000)"><g><g><path transform="scale(0.48828, -0.48828)" d="M 471 219 Q 545 129 651 78 T 874 27 Q 988 27 1081 85 T 1174 250 V 422 Q 1174 487 918 487 V 559 H 1505 V 487 Q 1440 487 1402 476 T 1364 422 V 18 Q 1364 11 1358 5 T 1346 0 Q 1327 0 1282 45 T 1212 125 Q 1162 39 1055 -3 T 831 -45 Q 632 -45 468 57 T 210 331 T 115 700 Q 115 845 170 982 T 323 1223 T 553 1385 T 831 1444 Q 937 1444 1031 1398 T 1200 1270 L 1319 1438 Q 1331 1444 1333 1444 H 1348 Q 1354 1444 1359 1439 T 1364 1427 V 874 Q 1364 856 1348 856 H 1311 Q 1292 856 1292 874 Q 1292 933 1268 1006 T 1208 1144 T 1124 1260 Q 1009 1372 860 1372 Q 746 1372 642 1321 T 467 1180 Q 392 1084 363 961 T 334 700 Q 334 386 471 219 Z "/><path transform="matrix(0.48828, 0.00000, 0.00000, -0.48828, 784.71997, 0.00000)" d="M 82 201 Q 82 323 178 399 T 408 507 T 664 539 V 623 Q 664 682 638 737 T 563 828 T 455 864 Q 319 864 248 803 Q 287 803 312 773 T 338 705 Q 338 664 309 635 T 240 606 Q 199 606 170 635 T 141 705 Q 141 813 239 865 T 455 918 Q 538 918 622 882 T 759 781 T 813 627 V 166 Q 813 126 830 92 T 883 59 Q 917 59 933 93 T 950 166 V 297 H 1010 V 166 Q 1010 120 986 78 T 921 12 T 834 -12 Q 774 -12 730 34 T 682 145 Q 644 68 570 22 T 412 -23 Q 334 -23 258 0 T 132 72 T 82 201 Z M 248 201 Q 248 129 301 80 T 426 31 Q 492 31 546 64 T 632 154 T 664 274 V 487 Q 571 487 473 456 T 312 361 T 248 201 Z "/></g><g transform="translate(1284.71997, 150.00000)"><g><path transform="scale(0.34180, -0.34180)" d="M 233 0 V 82 Q 516 82 516 143 V 1202 Q 401 1147 219 1147 V 1229 Q 341 1229 447 1258 T 629 1360 H 666 Q 685 1355 690 1335 V 143 Q 690 82 973 82 V 0 H 233 Z "/><path transform="matrix(0.34180, 0.00000, 0.00000, -0.34180, 398.60800, 0.00000)" d="M 268 461 Q 248 464 234 477 T 221 512 Q 221 554 268 561 H 1559 Q 1606 554 1606 512 Q 1606 491 1592 477 T 1559 461 H 268 Z "/><path transform="matrix(0.34180, 0.00000, 0.00000, -0.34180, 1023.58899, 0.00000)" d="M 215 76 Q 257 45 324 45 Q 390 45 441 102 T 508 227 L 600 596 Q 621 674 621 713 Q 621 769 588 803 T 500 838 Q 433 838 375 801 T 275 705 T 217 582 Q 214 563 197 563 H 164 Q 155 563 148 572 T 141 588 V 596 Q 174 721 277 812 T 504 903 Q 554 903 602 887 T 689 841 T 750 766 Q 791 826 850 864 T 973 903 Q 1058 903 1125 863 T 1192 745 Q 1192 710 1176 679 T 1132 630 T 1069 612 Q 1035 612 1011 633 T 987 690 Q 987 731 1013 764 T 1079 807 Q 1034 838 969 838 Q 924 838 886 810 T 822 743 T 782 655 L 690 287 Q 672 204 672 170 Q 672 114 704 79 T 793 45 Q 844 45 890 67 T 975 127 T 1039 211 T 1075 301 Q 1082 319 1098 319 H 1130 Q 1140 319 1146 311 T 1153 295 Q 1153 291 1151 287 Q 1131 205 1077 135 T 947 22 T 788 -20 Q 710 -20 643 15 T 543 117 Q 505 59 445 19 T 319 -20 Q 237 -20 169 19 T 102 137 Q 102 190 137 230 T 225 270 Q 260 270 283 249 T 307 193 Q 307 152 281 118 T 215 76 Z "/></g></g></g></g></g></g></g></svg>As as a function of yttrium concentration (<i>x</i>) is presented. The computations are performed using the full-potential linearized augmented plane wave plus local orbital method designed within density functional theory. Firstly, we performed our calculations on the most stable phases, NaCl and zinc blende, then their transition pressure for each concentration is determined and analysed. Our computed results for the zero yttrium concentration are found consistent with the available experimental measurements as well as with theoretical predictions. Moreover, the dependencies of these parameters upon yttrium concentration (<i>x</i>) were found to be non-linear. We also report computed results on electronic-band structure, electronic energy band gap results and density of states. A systematic study …</div></div></div></div><div class="gs_scl"><div class="gsc_oci_field">Total citations</div><div class="gsc_oci_value"><div style="margin-bottom:1em"><a href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cites=896237265742619317&as_sdt=5">Cited by 115</a></div><div id="gsc_oci_graph_wrapper"><div id="gsc_oci_graph" style="width:163px;"><div id="gsc_oci_graph_x"></div><div id="gsc_oci_graph_bars"><span class="gsc_oci_g_t" style="left:0px">2020</span><span class="gsc_oci_g_t" style="left:33px">2021</span><span class="gsc_oci_g_t" style="left:66px">2022</span><span class="gsc_oci_g_t" style="left:99px">2023</span><span class="gsc_oci_g_t" style="left:132px">2024</span><a href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cites=896237265742619317&as_sdt=5&as_ylo=2020&as_yhi=2020" class="gsc_oci_g_a" style="left:5px;height:9px;top:48px;z-index:5"><span class="gsc_oci_g_al">6</span></a><a href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cites=896237265742619317&as_sdt=5&as_ylo=2021&as_yhi=2021" class="gsc_oci_g_a" style="left:38px;height:40px;top:17px;z-index:4"><span class="gsc_oci_g_al">26</span></a><a href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cites=896237265742619317&as_sdt=5&as_ylo=2022&as_yhi=2022" class="gsc_oci_g_a" style="left:71px;height:57px;top:0px;z-index:3"><span class="gsc_oci_g_al">37</span></a><a href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cites=896237265742619317&as_sdt=5&as_ylo=2023&as_yhi=2023" class="gsc_oci_g_a" style="left:104px;height:51px;top:6px;z-index:2"><span class="gsc_oci_g_al">33</span></a><a href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cites=896237265742619317&as_sdt=5&as_ylo=2024&as_yhi=2024" class="gsc_oci_g_a" style="left:137px;height:20px;top:37px;z-index:1"><span class="gsc_oci_g_al">13</span></a></div></div></div></div></div><div class="gs_scl"><div class="gsc_oci_field">Scholar articles</div><div class="gsc_oci_value"><div class="gsc_oci_merged_snippet"><div><a href="/scholar?oi=bibs&cluster=896237265742619317&btnI=1&hl=en">First-principles computations of Y _ x Ga _ 1-x Y x Ga 1-x As-ternary alloys: a study on structural, electronic, optical and elastic properties</a></div><div>S Touam, R Belghit, R Mahdjoubi, Y Megdoud… - Bulletin of Materials Science, 2020</div><div><a class="gsc_oms_link" href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cites=896237265742619317&as_sdt=5">Cited by 115</a> <a class="gsc_oms_link" href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&q=related:tWIOcwsTcAwJ:scholar.google.com/">Related articles</a> <a class="gsc_oms_link" href="https://scholar.google.com.my/scholar?oi=bibs&hl=en&cluster=896237265742619317">All 9 versions</a> </div></div></div></div></div></div></div></div><div id="gs_ftr_sp" role="presentation"></div><div id="gs_ftr" class="gs_md_rmb" role="contentinfo"><div id="gs_ftr_rt"><a href="//www.google.com.my/intl/en/policies/privacy/">Privacy</a><a href="//www.google.com.my/intl/en/policies/terms/">Terms</a><a href="javascript:void(0)" ontouchstart="gs_evt_dsp(event)" role="button" aria-controls="gs_ftr_mnu" aria-haspopup="true" class="gs_press gs_md_tb">Help</a></div><div id="gs_ftr_mnu" class="gs_md_d gs_md_ds gs_ttzi gs_md_ulr" role="menu" tabindex="-1"><a role="menuitem" href="/intl/en/scholar/about.html" tabindex="-1" class="gs_md_li">About Scholar</a><a role="menuitem" href="//support.google.com/websearch?p=scholar_dsa&hl=en" tabindex="-1" class="gs_md_li">Search help</a></div></div></div></body></html>